2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide

C209H192F20N4O44S6 — CID 162117520

IUPAC2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide
SMILESCOc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O.COc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1OS(C)(=O)=O.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OCC3CC3)c2O)ccc1OCC=C(C)C.COc1cc(-c2cc(C)c(-c3ccc(NC(=O)C(F)(F)F)cc3F)cc2C)ccc1OCc1ccccc1.COc1cc(-c2cc(F)c(N(CC=C(C)C)C(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCC=C(C)C)c(OS(C)(=O)=O)c1.COc1cc(-c2cc(F)c(NC(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(C)cc1-c1ccc(OCc2ccccc2)c(O)c1
InChIInChI=1S/C34H36F5NO10S2.C31H26F5NO10S2.C30H25F4NO3.C29H23F4NO3.C29H27FO8S2.C29H32O6.C27H23FO4/c1-19(2)11-13-40(33(41)34(37,38)39)26-18-24(35)22(16-25(26)36)23-17-29(46-5)30(32(31(23)47-6)50-52(8,44)45)21-9-10-27(48-14-12-20(3)4)28(15-21)49-51(7,42)43;1-43-26-14-20(19-13-22(33)23(15-21(19)32)37-30(38)31(34,35)36)28(44-2)29(47-49(4,41)42)27(26)18-10-11-24(25(12-18)46-48(3,39)40)45-16-17-8-6-5-7-9-17;1-18-14-25(23-11-10-22(16-26(23)31)35-29(36)30(32,33)34)19(2)13-24(18)21-9-12-27(28(15-21)37-3)38-17-20-7-5-4-6-8-20;1-17-13-24(22-10-9-21(15-25(22)30)34-28(36)29(31,32)33)18(2)12-23(17)20-8-11-27(26(35)14-20)37-16-19-6-4-3-5-7-19;1-19-16-24(21-10-13-23(14-11-21)37-39(3,31)32)28(35-2)29(38-40(4,33)34)27(19)22-12-15-26(25(30)17-22)36-18-20-8-6-5-7-9-20;1-18(2)13-14-34-24-12-9-21(15-25(24)32-3)27-26(33-4)16-23(20-7-10-22(30)11-8-20)29(28(27)31)35-17-19-5-6-19;1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h9-12,15-18H,13-14H2,1-8H3;5-15H,16H2,1-4H3,(H,37,38);4-16H,17H2,1-3H3,(H,35,36);3-15,35H,16H2,1-2H3,(H,34,36);5-17H,18H2,1-4H3;7-13,15-16,19,30-31H,5-6,14,17H2,1-4H3;3-15,29-30H,16H2,1-2H3
InChIKeyZGYSAYYQZHZAKU-UHFFFAOYSA-N
MW4036.18 g/mol
LogP47.48
Rot. Bonds65

About 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide

2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide (PubChem CID 162117520) has the molecular formula C209H192F20N4O44S6 and a molecular weight of 4036.18 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide
PubChem CID162117520
Molecular FormulaC209H192F20N4O44S6
Molecular Weight4036.18 g/mol
Exact Mass4033.09
IUPAC Name2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide
SMILESCOc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O.COc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1OS(C)(=O)=O.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OCC3CC3)c2O)ccc1OCC=C(C)C.COc1cc(-c2cc(C)c(-c3ccc(NC(=O)C(F)(F)F)cc3F)cc2C)ccc1OCc1ccccc1.COc1cc(-c2cc(F)c(N(CC=C(C)C)C(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCC=C(C)C)c(OS(C)(=O)=O)c1.COc1cc(-c2cc(F)c(NC(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(C)cc1-c1ccc(OCc2ccccc2)c(O)c1
InChIInChI=1S/C34H36F5NO10S2.C31H26F5NO10S2.C30H25F4NO3.C29H23F4NO3.C29H27FO8S2.C29H32O6.C27H23FO4/c1-19(2)11-13-40(33(41)34(37,38)39)26-18-24(35)22(16-25(26)36)23-17-29(46-5)30(32(31(23)47-6)50-52(8,44)45)21-9-10-27(48-14-12-20(3)4)28(15-21)49-51(7,42)43;1-43-26-14-20(19-13-22(33)23(15-21(19)32)37-30(38)31(34,35)36)28(44-2)29(47-49(4,41)42)27(26)18-10-11-24(25(12-18)46-48(3,39)40)45-16-17-8-6-5-7-9-17;1-18-14-25(23-11-10-22(16-26(23)31)35-29(36)30(32,33)34)19(2)13-24(18)21-9-12-27(28(15-21)37-3)38-17-20-7-5-4-6-8-20;1-17-13-24(22-10-9-21(15-25(22)30)34-28(36)29(31,32)33)18(2)12-23(17)20-8-11-27(26(35)14-20)37-16-19-6-4-3-5-7-19;1-19-16-24(21-10-13-23(14-11-21)37-39(3,31)32)28(35-2)29(38-40(4,33)34)27(19)22-12-15-26(25(30)17-22)36-18-20-8-6-5-7-9-20;1-18(2)13-14-34-24-12-9-21(15-25(24)32-3)27-26(33-4)16-23(20-7-10-22(30)11-8-20)29(28(27)31)35-17-19-5-6-19;1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h9-12,15-18H,13-14H2,1-8H3;5-15H,16H2,1-4H3,(H,37,38);4-16H,17H2,1-3H3,(H,35,36);3-15,35H,16H2,1-2H3,(H,34,36);5-17H,18H2,1-4H3;7-13,15-16,19,30-31H,5-6,14,17H2,1-4H3;3-15,29-30H,16H2,1-2H3
InChIKeyZGYSAYYQZHZAKU-UHFFFAOYSA-N
XLogP47.48
TPSA625.89 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds65
Heavy Atoms283
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004036.18
LogP ≤ 547.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide (CID 162117520) is 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide is COc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1O.COc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C)c(-c2ccc(OCc3ccccc3)c(F)c2)c1OS(C)(=O)=O.COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OCC3CC3)c2O)ccc1OCC=C(C)C.COc1cc(-c2cc(C)c(-c3ccc(NC(=O)C(F)(F)F)cc3F)cc2C)ccc1OCc1ccccc1.COc1cc(-c2cc(F)c(N(CC=C(C)C)C(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCC=C(C)C)c(OS(C)(=O)=O)c1.COc1cc(-c2cc(F)c(NC(=O)C(F)(F)F)cc2F)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(C)cc1-c1ccc(OCc2ccccc2)c(O)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide?
The InChIKey is ZGYSAYYQZHZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F5NO10S2.C31H26F5NO10S2.C30H25F4NO3.C29H23F4NO3.C29H27FO8S2.C29H32O6.C27H23FO4/c1-19(2)11-13-40(33(41)34(37,38)39)26-18-24(35)22(16-25(26)36)23-17-29(46-5)30(32(31(23)47-6)50-52(8,44)45)21-9-10-27(48-14-12-20(3)4)28(15-21)49-51(7,42)43;1-43-26-14-20(19-13-22(33)23(15-21(19)32)37-30(38)31(34,35)36)28(44-2)29(47-49(4,41)42)27(26)18-10-11-24(25(12-18)46-48(3,39)40)45-16-17-8-6-5-7-9-17;1-18-14-25(23-11-10-22(16-26(23)31)35-29(36)30(32,33)34)19(2)13-24(18)21-9-12-27(28(15-21)37-3)38-17-20-7-5-4-6-8-20;1-17-13-24(22-10-9-21(15-25(22)30)34-28(36)29(31,32)33)18(2)12-23(17)20-8-11-27(26(35)14-20)37-16-19-6-4-3-5-7-19;1-19-16-24(21-10-13-23(14-11-21)37-39(3,31)32)28(35-2)29(38-40(4,33)34)27(19)22-12-15-26(25(30)17-22)36-18-20-8-6-5-7-9-20;1-18(2)13-14-34-24-12-9-21(15-25(24)32-3)27-26(33-4)16-23(20-7-10-22(30)11-8-20)29(28(27)31)35-17-19-5-6-19;1-17-14-22(19-8-11-21(29)12-9-19)27(31-2)26(30)25(17)20-10-13-24(23(28)15-20)32-16-18-6-4-3-5-7-18/h9-12,15-18H,13-14H2,1-8H3;5-15H,16H2,1-4H3,(H,37,38);4-16H,17H2,1-3H3,(H,35,36);3-15,35H,16H2,1-2H3,(H,34,36);5-17H,18H2,1-4H3;7-13,15-16,19,30-31H,5-6,14,17H2,1-4H3;3-15,29-30H,16H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide?
2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide has a molecular weight of 4036.18 g/mol, XLogP of 47.48, 65 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-(4-hydroxyphenyl)-5-methoxy-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]phenol;[5-[4-[2,5-difluoro-4-[3-methylbut-2-enyl-(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate;[5-[4-[2,5-difluoro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate;2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;[4-[4-(3-fluoro-4-phenylmethoxyphenyl)-2-methoxy-5-methyl-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide;2,2,2-trifluoro-N-[3-fluoro-4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl]acetamide is sourced from PubChem (CID 162117520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).