1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid

C276H280O53S13 — CID 161477936

IUPAC1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc(C(=O)/C=C/c2cc(C)c(OCC(C)(C)C(=O)O)c(C)c2)c2occc12.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1
InChIInChI=1S/C26H28O6.C26H28O5S.C26H28O4S2.C25H26O6.C25H24O5S.2C25H26O5S.C25H24O4S2.C25H26O4S2.C24H22O5S.C24H22O4S2/c1-15-11-18(12-16(2)23(15)31-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(30-6)13-22(20)32-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(32-6)13-22(20)31-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(31-6)13-22(20)32-24;1-15-10-17(11-16(2)23(15)30-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(29-5)13-21(18)31-22;1-14-11-17(12-15(2)22(14)30-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(31-4)13-21(19)29-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(31-5)13-21(18)30-22;1-15-12-17(13-16(2)22(15)30-14-25(3,4)24(27)28)6-8-20(26)18-7-9-21(31-5)19-10-11-29-23(18)19;1-14-11-17(12-15(2)22(14)29-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(30-4)13-21(19)31-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(30-5)13-21(18)31-22;1-14-10-16(11-15(2)22(14)29-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(30-3)13-20(17)28-21;1-14-10-16(11-15(2)22(14)28-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(29-3)13-20(17)30-21/h3*7-13H,14H2,1-6H3,(H,28,29);6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);2*6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);6-13H,14H2,1-5H3,(H,27,28);2*4-7,10-13H,8-9H2,1-3H3,(H,26,27)/b3*10-7+;9-6+;8-5+;9-6+;8-6+;8-5+;9-6+;2*7-4+
InChIKeyWDYSOKMDOSTCOP-ZKOLYACYSA-N
MW4862.09 g/mol
LogP67.74
Rot. Bonds84

About 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid

1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid (PubChem CID 161477936) has the molecular formula C276H280O53S13 and a molecular weight of 4862.09 g/mol. Its IUPAC name is 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid
PubChem CID161477936
Molecular FormulaC276H280O53S13
Molecular Weight4862.09 g/mol
Exact Mass4857.56
IUPAC Name1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc(C(=O)/C=C/c2cc(C)c(OCC(C)(C)C(=O)O)c(C)c2)c2occc12.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1
InChIInChI=1S/C26H28O6.C26H28O5S.C26H28O4S2.C25H26O6.C25H24O5S.2C25H26O5S.C25H24O4S2.C25H26O4S2.C24H22O5S.C24H22O4S2/c1-15-11-18(12-16(2)23(15)31-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(30-6)13-22(20)32-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(32-6)13-22(20)31-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(31-6)13-22(20)32-24;1-15-10-17(11-16(2)23(15)30-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(29-5)13-21(18)31-22;1-14-11-17(12-15(2)22(14)30-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(31-4)13-21(19)29-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(31-5)13-21(18)30-22;1-15-12-17(13-16(2)22(15)30-14-25(3,4)24(27)28)6-8-20(26)18-7-9-21(31-5)19-10-11-29-23(18)19;1-14-11-17(12-15(2)22(14)29-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(30-4)13-21(19)31-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(30-5)13-21(18)31-22;1-14-10-16(11-15(2)22(14)29-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(30-3)13-20(17)28-21;1-14-10-16(11-15(2)22(14)28-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(29-3)13-20(17)30-21/h3*7-13H,14H2,1-6H3,(H,28,29);6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);2*6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);6-13H,14H2,1-5H3,(H,27,28);2*4-7,10-13H,8-9H2,1-3H3,(H,26,27)/b3*10-7+;9-6+;8-5+;9-6+;8-6+;8-5+;9-6+;2*7-4+
InChIKeyWDYSOKMDOSTCOP-ZKOLYACYSA-N
XLogP67.74
TPSA810.04 Ų
H-Bond Donors11
H-Bond Acceptors55
Rotatable Bonds84
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004862.09
LogP ≤ 567.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1055

Analyze 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid
CID 153233505
3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid
CID 146607838
1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid
CID 146607822
2-[2,6-dimethyl-4-[(E)-3-[6-(2-methylpropylsulfanyl)-1-benzofuran-2-yl]-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146607197
2-[2,6-dimethyl-4-[(E)-3-oxo-3-(6-propan-2-yloxy-1-benzofuran-2-yl)prop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146607195
2-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146607240
2-[2,6-dimethyl-4-[3-[4-(methylamino)-1-benzofuran-7-yl]-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146562705
2-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146607234
2-[2,6-dimethyl-4-[3-(4-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid
CID 146562692
2-[4-[(E)-3-(1-benzothiophen-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 142599789
tert-butyl 2-[4-[(E)-3-(6-ethyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 155659833
2-[4-[(E)-3-(2,7-dimethoxyquinolin-3-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 142599782

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid (CID 161477936) is 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid is COc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc(C(=O)/C=C/c2cc(C)c(OCC(C)(C)C(=O)O)c(C)c2)c2occc12.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2c(C)c(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC4(C(=O)O)CC4)c(C)c3)sc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)oc2c1.CSc1ccc2cc(C(=O)/C=C/c3cc(C)c(OCC(C)(C)C(=O)O)c(C)c3)sc2c1.
What is the InChIKey of 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is WDYSOKMDOSTCOP-ZKOLYACYSA-N. The full InChI is InChI=1S/C26H28O6.C26H28O5S.C26H28O4S2.C25H26O6.C25H24O5S.2C25H26O5S.C25H24O4S2.C25H26O4S2.C24H22O5S.C24H22O4S2/c1-15-11-18(12-16(2)23(15)31-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(30-6)13-22(20)32-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(32-6)13-22(20)31-24;1-15-11-18(12-16(2)23(15)30-14-26(4,5)25(28)29)7-10-21(27)24-17(3)20-9-8-19(31-6)13-22(20)32-24;1-15-10-17(11-16(2)23(15)30-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(29-5)13-21(18)31-22;1-14-11-17(12-15(2)22(14)30-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(31-4)13-21(19)29-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(31-5)13-21(18)30-22;1-15-12-17(13-16(2)22(15)30-14-25(3,4)24(27)28)6-8-20(26)18-7-9-21(31-5)19-10-11-29-23(18)19;1-14-11-17(12-15(2)22(14)29-25(9-10-25)24(27)28)5-8-20(26)23-16(3)19-7-6-18(30-4)13-21(19)31-23;1-15-10-17(11-16(2)23(15)29-14-25(3,4)24(27)28)6-9-20(26)22-12-18-7-8-19(30-5)13-21(18)31-22;1-14-10-16(11-15(2)22(14)29-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(30-3)13-20(17)28-21;1-14-10-16(11-15(2)22(14)28-24(8-9-24)23(26)27)4-7-19(25)21-12-17-5-6-18(29-3)13-20(17)30-21/h3*7-13H,14H2,1-6H3,(H,28,29);6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);2*6-13H,14H2,1-5H3,(H,27,28);5-8,11-13H,9-10H2,1-4H3,(H,27,28);6-13H,14H2,1-5H3,(H,27,28);2*4-7,10-13H,8-9H2,1-3H3,(H,26,27)/b3*10-7+;9-6+;8-5+;9-6+;8-6+;8-5+;9-6+;2*7-4+.
What are the key properties of 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid?
1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 4862.09 g/mol, XLogP of 67.74, 84 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(3-methyl-6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanyl-1-benzofuran-7-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;1-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]cyclopropane-1-carboxylic acid;3-[2,6-dimethyl-4-[(E)-3-(6-methylsulfanyl-1-benzothiophen-2-yl)-3-oxoprop-1-enyl]phenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid;3-[4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 161477936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).