[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

C200H203Cl2N3O79S18 — CID 157236143

IUPAC[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccnc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C31H32O13S3.3C29H29NO12S3.C28H26O6.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-16-23(20-8-11-22(12-9-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-10-13-24(25(15-21)41-44(4,33)34)39-18-19-7-6-14-30-17-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;1-17-4-6-18(7-5-17)16-34-24-13-10-20(14-23(24)30)26-25(32-2)15-22(28(33-3)27(26)31)19-8-11-21(29)12-9-19;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;3*6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;2*7-13,15-16H,14H2,1-6H3/b;;;;;17-13+;17-13-
InChIKeyAUQUDJZUYNTGDU-MGWGUDLJSA-N
MW4560.88 g/mol
LogP31.91
Rot. Bonds86

About [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (PubChem CID 157236143) has the molecular formula C200H203Cl2N3O79S18 and a molecular weight of 4560.88 g/mol. Its IUPAC name is [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.

Molecular Properties

Compound Name[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
PubChem CID157236143
Molecular FormulaC200H203Cl2N3O79S18
Molecular Weight4560.88 g/mol
Exact Mass4555.63
IUPAC Name[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccnc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C31H32O13S3.3C29H29NO12S3.C28H26O6.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-16-23(20-8-11-22(12-9-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-10-13-24(25(15-21)41-44(4,33)34)39-18-19-7-6-14-30-17-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;1-17-4-6-18(7-5-17)16-34-24-13-10-20(14-23(24)30)26-25(32-2)15-22(28(33-3)27(26)31)19-8-11-21(29)12-9-19;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;3*6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;2*7-13,15-16H,14H2,1-6H3/b;;;;;17-13+;17-13-
InChIKeyAUQUDJZUYNTGDU-MGWGUDLJSA-N
XLogP31.91
TPSA1083.08 Ų
H-Bond Donors3
H-Bond Acceptors82
Rotatable Bonds86
Heavy Atoms302
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004560.88
LogP ≤ 531.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1082

Analyze [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The IUPAC name of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (CID 157236143) is [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.
What is the SMILES notation for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The canonical SMILES for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(/C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OC/C=C(\C)Cl)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccn2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2cccnc2)c(OS(C)(=O)=O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccncc2)c(OS(C)(=O)=O)c1.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(OS(C)(=O)=O)cc4)c(OC)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1.
What is the InChIKey of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The InChIKey is AUQUDJZUYNTGDU-MGWGUDLJSA-N. The full InChI is InChI=1S/C31H32O13S3.3C29H29NO12S3.C28H26O6.2C27H29ClO12S3/c1-38-23-12-7-20(8-13-23)19-41-26-16-11-22(17-27(26)43-46(5,34)35)29-28(39-2)18-25(30(40-3)31(29)44-47(6,36)37)21-9-14-24(15-10-21)42-45(4,32)33;1-37-26-17-23(20-6-9-22(10-7-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-8-11-24(25(16-21)41-44(4,33)34)39-18-19-12-14-30-15-13-19;1-37-26-16-23(20-8-11-22(12-9-20)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)21-10-13-24(25(15-21)41-44(4,33)34)39-18-19-7-6-14-30-17-19;1-37-26-17-23(19-9-12-22(13-10-19)40-43(3,31)32)28(38-2)29(42-45(5,35)36)27(26)20-11-14-24(25(16-20)41-44(4,33)34)39-18-21-8-6-7-15-30-21;1-17-4-6-18(7-5-17)16-34-24-13-10-20(14-23(24)30)26-25(32-2)15-22(28(33-3)27(26)31)19-8-11-21(29)12-9-19;2*1-17(28)13-14-37-22-12-9-19(15-23(22)39-42(5,31)32)25-24(35-2)16-21(26(36-3)27(25)40-43(6,33)34)18-7-10-20(11-8-18)38-41(4,29)30/h7-18H,19H2,1-6H3;3*6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;2*7-13,15-16H,14H2,1-6H3/b;;;;;17-13+;17-13-.
What are the key properties of [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol has a molecular weight of 4560.88 g/mol, XLogP of 31.91, 86 rotatable bonds, 3 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is sourced from PubChem (CID 157236143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).