[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate

C165H144F42O48S2 — CID 159177926

IUPAC[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1
InChIInChI=1S/C28H23F9O9.C28H26F6O8.C28H26F6O7S.C27H21F9O9.C27H24F6O8.C27H24F6O7S/c1-15(2)23(38)42-11-9-26(31,32)46-28(36,37)45-25(29,30)8-10-41-18-5-4-16-12-20(24(39)43-21(16)14-18)19-7-6-17(40-3)13-22(19)44-27(33,34)35;1-16(2)24(35)39-12-10-27(31,32)42-28(33,34)41-26(29,30)9-11-38-20-6-5-18-14-22(25(36)40-23(18)15-20)21-8-7-19(37-4)13-17(21)3;1-16(2)24(35)38-11-9-26(29,30)40-28(33,34)41-27(31,32)10-12-42-20-7-5-18-14-22(25(36)39-23(18)15-20)21-8-6-19(37-4)13-17(21)3;1-3-22(37)41-11-9-25(30,31)45-27(35,36)44-24(28,29)8-10-40-17-5-4-15-12-19(23(38)42-20(15)14-17)18-7-6-16(39-2)13-21(18)43-26(32,33)34;1-4-23(34)38-12-10-26(30,31)41-27(32,33)40-25(28,29)9-11-37-19-6-5-17-14-21(24(35)39-22(17)15-19)20-8-7-18(36-3)13-16(20)2;1-4-23(34)37-11-9-25(28,29)39-27(32,33)40-26(30,31)10-12-41-19-7-5-17-14-21(24(35)38-22(17)15-19)20-8-6-18(36-3)13-16(20)2/h4-7,12-14H,1,8-11H2,2-3H3;2*5-8,13-15H,1,9-12H2,2-4H3;3-7,12-14H,1,8-11H2,2H3;2*4-8,13-15H,1,9-12H2,2-3H3
InChIKeyKMNCEGLMIKCGDB-UHFFFAOYSA-N
MW3756.97 g/mol
LogP42.38
Rot. Bonds86

About [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate

[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate (PubChem CID 159177926) has the molecular formula C165H144F42O48S2 and a molecular weight of 3756.97 g/mol. Its IUPAC name is [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
PubChem CID159177926
Molecular FormulaC165H144F42O48S2
Molecular Weight3756.97 g/mol
Exact Mass3754.76
IUPAC Name[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1
InChIInChI=1S/C28H23F9O9.C28H26F6O8.C28H26F6O7S.C27H21F9O9.C27H24F6O8.C27H24F6O7S/c1-15(2)23(38)42-11-9-26(31,32)46-28(36,37)45-25(29,30)8-10-41-18-5-4-16-12-20(24(39)43-21(16)14-18)19-7-6-17(40-3)13-22(19)44-27(33,34)35;1-16(2)24(35)39-12-10-27(31,32)42-28(33,34)41-26(29,30)9-11-38-20-6-5-18-14-22(25(36)40-23(18)15-20)21-8-7-19(37-4)13-17(21)3;1-16(2)24(35)38-11-9-26(29,30)40-28(33,34)41-27(31,32)10-12-42-20-7-5-18-14-22(25(36)39-23(18)15-20)21-8-6-19(37-4)13-17(21)3;1-3-22(37)41-11-9-25(30,31)45-27(35,36)44-24(28,29)8-10-40-17-5-4-15-12-19(23(38)42-20(15)14-17)18-7-6-16(39-2)13-21(18)43-26(32,33)34;1-4-23(34)38-12-10-26(30,31)41-27(32,33)40-25(28,29)9-11-37-19-6-5-17-14-21(24(35)39-22(17)15-19)20-8-7-18(36-3)13-16(20)2;1-4-23(34)37-11-9-25(28,29)39-27(32,33)40-26(30,31)10-12-41-19-7-5-17-14-21(24(35)38-22(17)15-19)20-8-6-18(36-3)13-16(20)2/h4-7,12-14H,1,8-11H2,2-3H3;2*5-8,13-15H,1,9-12H2,2-4H3;3-7,12-14H,1,8-11H2,2H3;2*4-8,13-15H,1,9-12H2,2-3H3
InChIKeyKMNCEGLMIKCGDB-UHFFFAOYSA-N
XLogP42.38
TPSA560.58 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds86
Heavy Atoms257
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003756.97
LogP ≤ 542.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The IUPAC name of [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate (CID 159177926) is [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate.
What is the SMILES notation for [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The canonical SMILES for [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate is C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.
What is the InChIKey of [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The InChIKey is KMNCEGLMIKCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F9O9.C28H26F6O8.C28H26F6O7S.C27H21F9O9.C27H24F6O8.C27H24F6O7S/c1-15(2)23(38)42-11-9-26(31,32)46-28(36,37)45-25(29,30)8-10-41-18-5-4-16-12-20(24(39)43-21(16)14-18)19-7-6-17(40-3)13-22(19)44-27(33,34)35;1-16(2)24(35)39-12-10-27(31,32)42-28(33,34)41-26(29,30)9-11-38-20-6-5-18-14-22(25(36)40-23(18)15-20)21-8-7-19(37-4)13-17(21)3;1-16(2)24(35)38-11-9-26(29,30)40-28(33,34)41-27(31,32)10-12-42-20-7-5-18-14-22(25(36)39-23(18)15-20)21-8-6-19(37-4)13-17(21)3;1-3-22(37)41-11-9-25(30,31)45-27(35,36)44-24(28,29)8-10-40-17-5-4-15-12-19(23(38)42-20(15)14-17)18-7-6-16(39-2)13-21(18)43-26(32,33)34;1-4-23(34)38-12-10-26(30,31)41-27(32,33)40-25(28,29)9-11-37-19-6-5-17-14-21(24(35)39-22(17)15-19)20-8-7-18(36-3)13-16(20)2;1-4-23(34)37-11-9-25(28,29)39-27(32,33)40-26(30,31)10-12-41-19-7-5-17-14-21(24(35)38-22(17)15-19)20-8-6-18(36-3)13-16(20)2/h4-7,12-14H,1,8-11H2,2-3H3;2*5-8,13-15H,1,9-12H2,2-4H3;3-7,12-14H,1,8-11H2,2H3;2*4-8,13-15H,1,9-12H2,2-3H3.
What are the key properties of [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate has a molecular weight of 3756.97 g/mol, XLogP of 42.38, 86 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]sulfanylpropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate is sourced from PubChem (CID 159177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).