4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate

C209H213F3N4O65S11 — CID 159954221

IUPAC4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
SMILESCNc1cc(-c2cc(OC)c(-c3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2CO)ccc1OCc1ccc(C)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(N(C)C(=O)C(F)(F)F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c(OC)cc1-c1ccc(O)cc1
InChIInChI=1S/C31H28F3NO7S.C31H31NO14S3.C31H36O14S3.C30H34O14S3.C30H30O6.C28H27NO6S.C28H27NO4/c1-35(30(36)31(32,33)34)26-16-22(12-15-27(26)41-19-20-8-6-5-7-9-20)25-18-28(39-2)24(17-29(25)40-3)21-10-13-23(14-11-21)42-43(4,37)38;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-18(2)13-14-41-27-23(30(31)40-5)15-20(16-25(27)43-46(7,34)35)26-24(38-3)17-22(28(39-4)29(26)44-47(8,36)37)19-9-11-21(12-10-19)42-45(6,32)33;1-19-5-7-20(8-6-19)18-36-26-14-11-22(15-27(26)33-2)29-25(17-31)30(35-4)24(16-28(29)34-3)21-9-12-23(32)13-10-21;1-33-27-17-24(28(34-2)16-23(27)20-9-12-22(30)13-10-20)21-11-14-26(25(15-21)29-36(3,31)32)35-18-19-7-5-4-6-8-19;1-29-25-15-21(11-14-26(25)33-18-19-7-5-4-6-8-19)24-17-27(31-2)23(16-28(24)32-3)20-9-12-22(30)13-10-20/h5-18H,19H2,1-4H3;7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;9-13,15-17H,14H2,1-8H3;5-16,31-32H,17-18H2,1-4H3;4-17,29-30H,18H2,1-3H3;4-17,29-30H,18H2,1-3H3
InChIKeyOCMVCJOPXUAVNB-UHFFFAOYSA-N
MW4230.70 g/mol
LogP37.24
Rot. Bonds79

About 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate

4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate (PubChem CID 159954221) has the molecular formula C209H213F3N4O65S11 and a molecular weight of 4230.70 g/mol. Its IUPAC name is 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
PubChem CID159954221
Molecular FormulaC209H213F3N4O65S11
Molecular Weight4230.70 g/mol
Exact Mass4227.04
IUPAC Name4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate
SMILESCNc1cc(-c2cc(OC)c(-c3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2CO)ccc1OCc1ccc(C)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(N(C)C(=O)C(F)(F)F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c(OC)cc1-c1ccc(O)cc1
InChIInChI=1S/C31H28F3NO7S.C31H31NO14S3.C31H36O14S3.C30H34O14S3.C30H30O6.C28H27NO6S.C28H27NO4/c1-35(30(36)31(32,33)34)26-16-22(12-15-27(26)41-19-20-8-6-5-7-9-20)25-18-28(39-2)24(17-29(25)40-3)21-10-13-23(14-11-21)42-43(4,37)38;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-18(2)13-14-41-27-23(30(31)40-5)15-20(16-25(27)43-46(7,34)35)26-24(38-3)17-22(28(39-4)29(26)44-47(8,36)37)19-9-11-21(12-10-19)42-45(6,32)33;1-19-5-7-20(8-6-19)18-36-26-14-11-22(15-27(26)33-2)29-25(17-31)30(35-4)24(16-28(29)34-3)21-9-12-23(32)13-10-21;1-33-27-17-24(28(34-2)16-23(27)20-9-12-22(30)13-10-20)21-11-14-26(25(15-21)29-36(3,31)32)35-18-19-7-5-4-6-8-19;1-29-25-15-21(11-14-26(25)33-18-19-7-5-4-6-8-19)24-17-27(31-2)23(16-28(24)32-3)20-9-12-22(30)13-10-20/h5-18H,19H2,1-4H3;7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;9-13,15-17H,14H2,1-8H3;5-16,31-32H,17-18H2,1-4H3;4-17,29-30H,18H2,1-3H3;4-17,29-30H,18H2,1-3H3
InChIKeyOCMVCJOPXUAVNB-UHFFFAOYSA-N
XLogP37.24
TPSA887.98 Ų
H-Bond Donors6
H-Bond Acceptors67
Rotatable Bonds79
Heavy Atoms292
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004230.70
LogP ≤ 537.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1067

Analyze 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The IUPAC name of 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate (CID 159954221) is 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate.
What is the SMILES notation for 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The canonical SMILES for 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate is CNc1cc(-c2cc(OC)c(-c3ccc(O)cc3)cc2OC)ccc1OCc1ccccc1.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCCC=C(C)C.COC(=O)c1cc(-c2c(OC)cc(-c3ccc(OS(C)(=O)=O)cc3)c(OC)c2OS(C)(=O)=O)cc(OS(C)(=O)=O)c1OCc1ccccn1.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2CO)ccc1OCc1ccc(C)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(N(C)C(=O)C(F)(F)F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c(OC)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
The InChIKey is OCMVCJOPXUAVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3NO7S.C31H31NO14S3.C31H36O14S3.C30H34O14S3.C30H30O6.C28H27NO6S.C28H27NO4/c1-35(30(36)31(32,33)34)26-16-22(12-15-27(26)41-19-20-8-6-5-7-9-20)25-18-28(39-2)24(17-29(25)40-3)21-10-13-23(14-11-21)42-43(4,37)38;1-40-25-17-23(19-10-12-22(13-11-19)44-47(4,34)35)29(41-2)30(46-49(6,38)39)27(25)20-15-24(31(33)42-3)28(26(16-20)45-48(5,36)37)43-18-21-9-7-8-14-32-21;1-19(2)10-9-15-42-28-24(31(32)41-5)16-21(17-26(28)44-47(7,35)36)27-25(39-3)18-23(29(40-4)30(27)45-48(8,37)38)20-11-13-22(14-12-20)43-46(6,33)34;1-18(2)13-14-41-27-23(30(31)40-5)15-20(16-25(27)43-46(7,34)35)26-24(38-3)17-22(28(39-4)29(26)44-47(8,36)37)19-9-11-21(12-10-19)42-45(6,32)33;1-19-5-7-20(8-6-19)18-36-26-14-11-22(15-27(26)33-2)29-25(17-31)30(35-4)24(16-28(29)34-3)21-9-12-23(32)13-10-21;1-33-27-17-24(28(34-2)16-23(27)20-9-12-22(30)13-10-20)21-11-14-26(25(15-21)29-36(3,31)32)35-18-19-7-5-4-6-8-19;1-29-25-15-21(11-14-26(25)33-18-19-7-5-4-6-8-19)24-17-27(31-2)23(16-28(24)32-3)20-9-12-22(30)13-10-20/h5-18H,19H2,1-4H3;7-17H,18H2,1-6H3;10-14,16-18H,9,15H2,1-8H3;9-13,15-17H,14H2,1-8H3;5-16,31-32H,17-18H2,1-4H3;4-17,29-30H,18H2,1-3H3;4-17,29-30H,18H2,1-3H3.
What are the key properties of 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate?
4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate has a molecular weight of 4230.70 g/mol, XLogP of 37.24, 79 rotatable bonds, 6 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethoxy-4-[3-(methylamino)-4-phenylmethoxyphenyl]phenyl]phenol;[4-[2,5-dimethoxy-4-[3-[methyl-(2,2,2-trifluoroacetyl)amino]-4-phenylmethoxyphenyl]phenyl]phenyl] methanesulfonate;4-[3-(hydroxymethyl)-2,5-dimethoxy-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]phenyl]phenol;N-[5-[4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl]methanesulfonamide;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-2-(4-methylpent-3-enoxy)-3-methylsulfonyloxybenzoate;methyl 5-[3,6-dimethoxy-2-methylsulfonyloxy-4-(4-methylsulfonyloxyphenyl)phenyl]-3-methylsulfonyloxy-2-(pyridin-2-ylmethoxy)benzoate is sourced from PubChem (CID 159954221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).