[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate

C253H217F73O48S2 — CID 158612864

IUPAC[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1
InChIInChI=1S/C33H34F8O5.C30H30F6O4S.C29H25F9O5S.C29H26F8O5.C28H24F8O5.C27H22F8O5.C26H19F9O7.C26H20F8O5.C25H17F9O7/c1-4-7-8-9-21-10-13-25(22(5-2)18-21)26-19-23-11-12-24(20-27(23)46-29(26)43)44-16-14-30(34,35)32(38,39)33(40,41)31(36,37)15-17-45-28(42)6-3;1-5-6-7-8-20-9-12-23(19(4)13-20)24-14-21-10-11-22(15-25(21)40-27(24)38)41-17-29(33,34)30(35,36)28(31,32)16-39-26(37)18(2)3;1-3-5-6-7-17-8-11-20(23(12-17)43-29(36,37)38)21-13-18-9-10-19(14-22(18)42-25(21)40)44-16-27(32,33)28(34,35)26(30,31)15-41-24(39)4-2;1-4-18-7-5-6-8-21(18)22-15-19-9-10-20(16-23(19)42-25(22)39)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-24(38)17(2)3;1-3-17-7-5-6-8-20(17)21-15-18-9-10-19(16-22(18)41-24(21)38)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-23(37)4-2;1-16(2)22(36)39-13-11-25(30,31)27(34,35)26(32,33)24(28,29)10-12-38-19-9-8-18-14-20(17-6-4-3-5-7-17)23(37)40-21(18)15-19;1-13(2)21(36)40-12-24(29,30)25(31,32)23(27,28)11-39-16-5-4-14-8-18(22(37)41-19(14)10-16)17-7-6-15(38-3)9-20(17)42-26(33,34)35;1-2-21(35)38-13-11-24(29,30)26(33,34)25(31,32)23(27,28)10-12-37-18-9-8-17-14-19(16-6-4-3-5-7-16)22(36)39-20(17)15-18;1-3-20(35)39-12-23(28,29)24(30,31)22(26,27)11-38-15-5-4-13-8-17(21(36)40-18(13)10-15)16-7-6-14(37-2)9-19(16)41-25(32,33)34/h6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;9-15H,2,5-8,16-17H2,1,3-4H3;4,8-14H,2-3,5-7,15-16H2,1H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;4-10H,1,11-12H2,2-3H3;2-9,14-15H,1,10-13H2;3-10H,1,11-12H2,2H3
InChIKeyHXAXAYIINRHLSI-UHFFFAOYSA-N
MW5476.46 g/mol
LogP69.24
Rot. Bonds116

About [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate

[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate (PubChem CID 158612864) has the molecular formula C253H217F73O48S2 and a molecular weight of 5476.46 g/mol. Its IUPAC name is [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate.

Molecular Properties

Compound Name[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate
PubChem CID158612864
Molecular FormulaC253H217F73O48S2
Molecular Weight5476.46 g/mol
Exact Mass5473.28
IUPAC Name[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1
InChIInChI=1S/C33H34F8O5.C30H30F6O4S.C29H25F9O5S.C29H26F8O5.C28H24F8O5.C27H22F8O5.C26H19F9O7.C26H20F8O5.C25H17F9O7/c1-4-7-8-9-21-10-13-25(22(5-2)18-21)26-19-23-11-12-24(20-27(23)46-29(26)43)44-16-14-30(34,35)32(38,39)33(40,41)31(36,37)15-17-45-28(42)6-3;1-5-6-7-8-20-9-12-23(19(4)13-20)24-14-21-10-11-22(15-25(21)40-27(24)38)41-17-29(33,34)30(35,36)28(31,32)16-39-26(37)18(2)3;1-3-5-6-7-17-8-11-20(23(12-17)43-29(36,37)38)21-13-18-9-10-19(14-22(18)42-25(21)40)44-16-27(32,33)28(34,35)26(30,31)15-41-24(39)4-2;1-4-18-7-5-6-8-21(18)22-15-19-9-10-20(16-23(19)42-25(22)39)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-24(38)17(2)3;1-3-17-7-5-6-8-20(17)21-15-18-9-10-19(16-22(18)41-24(21)38)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-23(37)4-2;1-16(2)22(36)39-13-11-25(30,31)27(34,35)26(32,33)24(28,29)10-12-38-19-9-8-18-14-20(17-6-4-3-5-7-17)23(37)40-21(18)15-19;1-13(2)21(36)40-12-24(29,30)25(31,32)23(27,28)11-39-16-5-4-14-8-18(22(37)41-19(14)10-16)17-7-6-15(38-3)9-20(17)42-26(33,34)35;1-2-21(35)38-13-11-24(29,30)26(33,34)25(31,32)23(27,28)10-12-37-18-9-8-17-14-19(16-6-4-3-5-7-16)22(36)39-20(17)15-18;1-3-20(35)39-12-23(28,29)24(30,31)22(26,27)11-38-15-5-4-13-8-17(21(36)40-18(13)10-15)16-7-6-14(37-2)9-19(16)41-25(32,33)34/h6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;9-15H,2,5-8,16-17H2,1,3-4H3;4,8-14H,2-3,5-7,15-16H2,1H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;4-10H,1,11-12H2,2-3H3;2-9,14-15H,1,10-13H2;3-10H,1,11-12H2,2H3
InChIKeyHXAXAYIINRHLSI-UHFFFAOYSA-N
XLogP69.24
TPSA619.35 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds116
Heavy Atoms376
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005476.46
LogP ≤ 569.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate with MolForge

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Related Compounds

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CID 87484745
[(2-Oxochromen-7-yl)-diphenyl-lambda4-sulfanyl] 3,4,5-tris(2,3,4,5,6-pentafluorophenoxy)-2-(2,3,4,5,6-pentafluorophenyl)benzoate
CID 140496131
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CID 153306073
[3-[[1,1-Difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate
CID 153306134
[4,4-Difluoro-7-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylheptyl] 2-methylprop-2-enoate
CID 153306135
[7-[1,7-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]heptan-4-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454732
[7-[1,3-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]propan-2-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454738
[7-[1,5-Bis[[3-(2-methoxy-4-pentylphenyl)-2-oxothiochromen-7-yl]oxy]pentan-3-yloxy]-4,4-difluoroheptyl] prop-2-enoate
CID 153454747
7-[4-(7-Ethenoxy-4,4-difluoroheptoxy)-7-[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxyheptoxy]-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 153454796
[3-[[1,1-Difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-tert-butyl-4,4-dimethylpentanoate
CID 155262750
[3-(2-Cyclopropyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-(2,4-diethylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-[2,4-di(propan-2-yl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-propan-2-ylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methoxy-4-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
CID 157060477

Frequently Asked Questions

What is the IUPAC name of [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate?
The IUPAC name of [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate (CID 158612864) is [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate.
What is the SMILES notation for [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate?
The canonical SMILES for [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate is C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)CSc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3CC)c(=O)oc2c1.
What is the InChIKey of [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate?
The InChIKey is HXAXAYIINRHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F8O5.C30H30F6O4S.C29H25F9O5S.C29H26F8O5.C28H24F8O5.C27H22F8O5.C26H19F9O7.C26H20F8O5.C25H17F9O7/c1-4-7-8-9-21-10-13-25(22(5-2)18-21)26-19-23-11-12-24(20-27(23)46-29(26)43)44-16-14-30(34,35)32(38,39)33(40,41)31(36,37)15-17-45-28(42)6-3;1-5-6-7-8-20-9-12-23(19(4)13-20)24-14-21-10-11-22(15-25(21)40-27(24)38)41-17-29(33,34)30(35,36)28(31,32)16-39-26(37)18(2)3;1-3-5-6-7-17-8-11-20(23(12-17)43-29(36,37)38)21-13-18-9-10-19(14-22(18)42-25(21)40)44-16-27(32,33)28(34,35)26(30,31)15-41-24(39)4-2;1-4-18-7-5-6-8-21(18)22-15-19-9-10-20(16-23(19)42-25(22)39)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-24(38)17(2)3;1-3-17-7-5-6-8-20(17)21-15-18-9-10-19(16-22(18)41-24(21)38)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-23(37)4-2;1-16(2)22(36)39-13-11-25(30,31)27(34,35)26(32,33)24(28,29)10-12-38-19-9-8-18-14-20(17-6-4-3-5-7-17)23(37)40-21(18)15-19;1-13(2)21(36)40-12-24(29,30)25(31,32)23(27,28)11-39-16-5-4-14-8-18(22(37)41-19(14)10-16)17-7-6-15(38-3)9-20(17)42-26(33,34)35;1-2-21(35)38-13-11-24(29,30)26(33,34)25(31,32)23(27,28)10-12-37-18-9-8-17-14-19(16-6-4-3-5-7-16)22(36)39-20(17)15-18;1-3-20(35)39-12-23(28,29)24(30,31)22(26,27)11-38-15-5-4-13-8-17(21(36)40-18(13)10-15)16-7-6-14(37-2)9-19(16)41-25(32,33)34/h6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;9-15H,2,5-8,16-17H2,1,3-4H3;4,8-14H,2-3,5-7,15-16H2,1H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;4-10H,1,11-12H2,2-3H3;2-9,14-15H,1,10-13H2;3-10H,1,11-12H2,2H3.
What are the key properties of [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate?
[8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate has a molecular weight of 5476.46 g/mol, XLogP of 69.24, 116 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[3-(2-ethylphenyl)-2-oxochromen-7-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylpentyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylpentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(2-oxo-3-phenylchromen-7-yl)oxyoctyl] prop-2-enoate is sourced from PubChem (CID 158612864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).