[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate

C222H220F8O44S — CID 165091194

IUPAC[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1ccc2cc(-c3cccc(C(CC)CCCCC)c3)c(=O)oc2c1.C=CC(=O)OCC(CC)CCCCC(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCCc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(SCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C35H46O5.C28H32O5.C26H28O5.C25H26O5.C25H26O4.C23H22O5S.C21H13F5O5.C20H13F3O5.C19H14O5/c1-5-9-10-15-28-16-18-29(19-17-28)32-22-30-20-21-31(23-33(30)40-35(32)37)38-24-26(6-2)13-11-12-14-27(7-3)25-39-34(36)8-4;1-5-7-8-10-20(6-2)21-11-9-12-22(15-21)25-16-23-13-14-24(17-26(23)33-28(25)30)31-18-32-27(29)19(3)4;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-4-6-7-8-18-9-12-21(17(3)13-18)22-14-19-10-11-20(15-23(19)30-25(22)27)28-16-29-24(26)5-2;1-3-5-6-7-18-8-11-20(12-9-18)22-17-21-13-10-19(14-15-28-24(26)4-2)16-23(21)29-25(22)27;1-3-5-12-29-19-10-7-16(8-11-19)20-13-17-6-9-18(14-21(17)28-23(20)25)26-15-27-22(24)4-2;1-2-18(27)30-11-29-13-8-7-12-9-15(19(28)31-17(12)10-13)14-5-3-4-6-16(14)20(22,23)21(24,25)26;1-2-18(24)27-11-26-13-8-7-12-9-15(19(25)28-17(12)10-13)14-5-3-4-6-16(14)20(21,22)23;1-2-18(20)23-12-22-15-9-8-14-10-16(13-6-4-3-5-7-13)19(21)24-17(14)11-15/h8,16-23,26-27H,4-7,9-15,24-25H2,1-3H3;9,11-17,20H,3,5-8,10,18H2,1-2,4H3;6,10-16H,3-5,7-9,17H2,1-2H3;5,9-15H,2,4,6-8,16H2,1,3H3;4,8-13,16-17H,2-3,5-7,14-15H2,1H3;4,6-11,13-14H,2-3,5,12,15H2,1H3;2-10H,1,11H2;2-10H,1,11H2;2-11H,1,12H2
InChIKeyWSTGSAYQCMLUPP-UHFFFAOYSA-N
MW3776.21 g/mol
LogP51.42
Rot. Bonds82

About [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate

[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate (PubChem CID 165091194) has the molecular formula C222H220F8O44S and a molecular weight of 3776.21 g/mol. Its IUPAC name is [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate.

Molecular Properties

Compound Name[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
PubChem CID165091194
Molecular FormulaC222H220F8O44S
Molecular Weight3776.21 g/mol
Exact Mass3773.46
IUPAC Name[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1ccc2cc(-c3cccc(C(CC)CCCCC)c3)c(=O)oc2c1.C=CC(=O)OCC(CC)CCCCC(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCCc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(SCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C35H46O5.C28H32O5.C26H28O5.C25H26O5.C25H26O4.C23H22O5S.C21H13F5O5.C20H13F3O5.C19H14O5/c1-5-9-10-15-28-16-18-29(19-17-28)32-22-30-20-21-31(23-33(30)40-35(32)37)38-24-26(6-2)13-11-12-14-27(7-3)25-39-34(36)8-4;1-5-7-8-10-20(6-2)21-11-9-12-22(15-21)25-16-23-13-14-24(17-26(23)33-28(25)30)31-18-32-27(29)19(3)4;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-4-6-7-8-18-9-12-21(17(3)13-18)22-14-19-10-11-20(15-23(19)30-25(22)27)28-16-29-24(26)5-2;1-3-5-6-7-18-8-11-20(12-9-18)22-17-21-13-10-19(14-15-28-24(26)4-2)16-23(21)29-25(22)27;1-3-5-12-29-19-10-7-16(8-11-19)20-13-17-6-9-18(14-21(17)28-23(20)25)26-15-27-22(24)4-2;1-2-18(27)30-11-29-13-8-7-12-9-15(19(28)31-17(12)10-13)14-5-3-4-6-16(14)20(22,23)21(24,25)26;1-2-18(24)27-11-26-13-8-7-12-9-15(19(25)28-17(12)10-13)14-5-3-4-6-16(14)20(21,22)23;1-2-18(20)23-12-22-15-9-8-14-10-16(13-6-4-3-5-7-13)19(21)24-17(14)11-15/h8,16-23,26-27H,4-7,9-15,24-25H2,1-3H3;9,11-17,20H,3,5-8,10,18H2,1-2,4H3;6,10-16H,3-5,7-9,17H2,1-2H3;5,9-15H,2,4,6-8,16H2,1,3H3;4,8-13,16-17H,2-3,5-7,14-15H2,1H3;4,6-11,13-14H,2-3,5,12,15H2,1H3;2-10H,1,11H2;2-10H,1,11H2;2-11H,1,12H2
InChIKeyWSTGSAYQCMLUPP-UHFFFAOYSA-N
XLogP51.42
TPSA582.43 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds82
Heavy Atoms275
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003776.21
LogP ≤ 551.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The IUPAC name of [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate (CID 165091194) is [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate.
What is the SMILES notation for [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The canonical SMILES for [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate is C=C(C)C(=O)OCOc1ccc2cc(-c3cccc(C(CC)CCCCC)c3)c(=O)oc2c1.C=CC(=O)OCC(CC)CCCCC(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCCc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(SCCCC)cc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccccc3C(F)(F)F)c(=O)oc2c1.
What is the InChIKey of [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The InChIKey is WSTGSAYQCMLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46O5.C28H32O5.C26H28O5.C25H26O5.C25H26O4.C23H22O5S.C21H13F5O5.C20H13F3O5.C19H14O5/c1-5-9-10-15-28-16-18-29(19-17-28)32-22-30-20-21-31(23-33(30)40-35(32)37)38-24-26(6-2)13-11-12-14-27(7-3)25-39-34(36)8-4;1-5-7-8-10-20(6-2)21-11-9-12-22(15-21)25-16-23-13-14-24(17-26(23)33-28(25)30)31-18-32-27(29)19(3)4;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-4-6-7-8-18-9-12-21(17(3)13-18)22-14-19-10-11-20(15-23(19)30-25(22)27)28-16-29-24(26)5-2;1-3-5-6-7-18-8-11-20(12-9-18)22-17-21-13-10-19(14-15-28-24(26)4-2)16-23(21)29-25(22)27;1-3-5-12-29-19-10-7-16(8-11-19)20-13-17-6-9-18(14-21(17)28-23(20)25)26-15-27-22(24)4-2;1-2-18(27)30-11-29-13-8-7-12-9-15(19(28)31-17(12)10-13)14-5-3-4-6-16(14)20(22,23)21(24,25)26;1-2-18(24)27-11-26-13-8-7-12-9-15(19(25)28-17(12)10-13)14-5-3-4-6-16(14)20(21,22)23;1-2-18(20)23-12-22-15-9-8-14-10-16(13-6-4-3-5-7-13)19(21)24-17(14)11-15/h8,16-23,26-27H,4-7,9-15,24-25H2,1-3H3;9,11-17,20H,3,5-8,10,18H2,1-2,4H3;6,10-16H,3-5,7-9,17H2,1-2H3;5,9-15H,2,4,6-8,16H2,1,3H3;4,8-13,16-17H,2-3,5-7,14-15H2,1H3;4,6-11,13-14H,2-3,5,12,15H2,1H3;2-10H,1,11H2;2-10H,1,11H2;2-11H,1,12H2.
What are the key properties of [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate has a molecular weight of 3776.21 g/mol, XLogP of 51.42, 82 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate is sourced from PubChem (CID 165091194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).