[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate

C248H240F7N3O57S8 — CID 160847410

IUPAC[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate
SMILESCOc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OCC=C(C)C)c(F)c2)c(OC)cc1-c1ccc(N)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)c(F)c1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1
InChIInChI=1S/C30H29FO9S2.C30H30O9S2.C29H27FO6S.C28H25FO5.C28H27NO9S2.C27H24FNO6S.C26H27FO5.C25H26FNO3.C25H25FO5/c1-19-6-8-20(9-7-19)18-38-27-13-11-22(15-30(27)40-42(5,34)35)24-17-28(36-2)23(16-29(24)37-3)21-10-12-26(25(31)14-21)39-41(4,32)33;1-20-6-8-21(9-7-20)19-37-27-15-12-23(16-30(27)39-41(5,33)34)26-18-28(35-2)25(17-29(26)36-3)22-10-13-24(14-11-22)38-40(4,31)32;1-19-5-7-20(8-6-19)18-35-27-14-11-22(15-26(27)30)25-17-28(33-2)24(16-29(25)34-3)21-9-12-23(13-10-21)36-37(4,31)32;1-17-4-6-18(7-5-17)16-34-26-11-9-20(13-25(26)31)22-15-27(32-2)21(14-28(22)33-3)19-8-10-24(30)23(29)12-19;1-34-26-17-24(27(35-2)16-23(26)19-8-11-22(12-9-19)37-39(3,30)31)20-10-13-25(28(15-20)38-40(4,32)33)36-18-21-7-5-6-14-29-21;1-32-26-16-23(19-9-12-25(24(28)14-19)34-17-20-6-4-5-13-29-20)27(33-2)15-22(26)18-7-10-21(11-8-18)35-36(3,30)31;1-16(2)6-5-11-32-24-10-8-18(13-23(24)29)20-15-25(30-3)19(14-26(20)31-4)17-7-9-22(28)21(27)12-17;1-16(2)11-12-30-23-10-7-18(13-22(23)26)21-15-24(28-3)20(14-25(21)29-4)17-5-8-19(27)9-6-17;1-15(2)9-10-31-23-8-6-17(12-22(23)28)19-14-24(29-3)18(13-25(19)30-4)16-5-7-21(27)20(26)11-16/h6-17H,18H2,1-5H3;6-18H,19H2,1-5H3;5-17H,18H2,1-4H3;4-15,30-31H,16H2,1-3H3;5-17H,18H2,1-4H3;4-16H,17H2,1-3H3;6-10,12-15,28-29H,5,11H2,1-4H3;5-11,13-15H,12,27H2,1-4H3;5-9,11-14,27-28H,10H2,1-4H3
InChIKeySIUZJCFWPYRPAR-UHFFFAOYSA-N
MW4564.13 g/mol
LogP52.76
Rot. Bonds80

About [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate

[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate (PubChem CID 160847410) has the molecular formula C248H240F7N3O57S8 and a molecular weight of 4564.13 g/mol. Its IUPAC name is [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate.

Molecular Properties

Compound Name[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate
PubChem CID160847410
Molecular FormulaC248H240F7N3O57S8
Molecular Weight4564.13 g/mol
Exact Mass4560.36
IUPAC Name[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate
SMILESCOc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OCC=C(C)C)c(F)c2)c(OC)cc1-c1ccc(N)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)c(F)c1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1
InChIInChI=1S/C30H29FO9S2.C30H30O9S2.C29H27FO6S.C28H25FO5.C28H27NO9S2.C27H24FNO6S.C26H27FO5.C25H26FNO3.C25H25FO5/c1-19-6-8-20(9-7-19)18-38-27-13-11-22(15-30(27)40-42(5,34)35)24-17-28(36-2)23(16-29(24)37-3)21-10-12-26(25(31)14-21)39-41(4,32)33;1-20-6-8-21(9-7-20)19-37-27-15-12-23(16-30(27)39-41(5,33)34)26-18-28(35-2)25(17-29(26)36-3)22-10-13-24(14-11-22)38-40(4,31)32;1-19-5-7-20(8-6-19)18-35-27-14-11-22(15-26(27)30)25-17-28(33-2)24(16-29(25)34-3)21-9-12-23(13-10-21)36-37(4,31)32;1-17-4-6-18(7-5-17)16-34-26-11-9-20(13-25(26)31)22-15-27(32-2)21(14-28(22)33-3)19-8-10-24(30)23(29)12-19;1-34-26-17-24(27(35-2)16-23(26)19-8-11-22(12-9-19)37-39(3,30)31)20-10-13-25(28(15-20)38-40(4,32)33)36-18-21-7-5-6-14-29-21;1-32-26-16-23(19-9-12-25(24(28)14-19)34-17-20-6-4-5-13-29-20)27(33-2)15-22(26)18-7-10-21(11-8-18)35-36(3,30)31;1-16(2)6-5-11-32-24-10-8-18(13-23(24)29)20-15-25(30-3)19(14-26(20)31-4)17-7-9-22(28)21(27)12-17;1-16(2)11-12-30-23-10-7-18(13-22(23)26)21-15-24(28-3)20(14-25(21)29-4)17-5-8-19(27)9-6-17;1-15(2)9-10-31-23-8-6-17(12-22(23)28)19-14-24(29-3)18(13-25(19)30-4)16-5-7-21(27)20(26)11-16/h6-17H,18H2,1-5H3;6-18H,19H2,1-5H3;5-17H,18H2,1-4H3;4-15,30-31H,16H2,1-3H3;5-17H,18H2,1-4H3;4-16H,17H2,1-3H3;6-10,12-15,28-29H,5,11H2,1-4H3;5-11,13-15H,12,27H2,1-4H3;5-9,11-14,27-28H,10H2,1-4H3
InChIKeySIUZJCFWPYRPAR-UHFFFAOYSA-N
XLogP52.76
TPSA769.35 Ų
H-Bond Donors7
H-Bond Acceptors60
Rotatable Bonds80
Heavy Atoms323
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004564.13
LogP ≤ 552.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1060

Analyze [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate?
The IUPAC name of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate (CID 160847410) is [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate.
What is the SMILES notation for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate?
The canonical SMILES for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate is COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCCC=C(C)C)c(O)c1.COc1cc(-c2ccc(O)c(F)c2)c(OC)cc1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1cc(-c2ccc(OCC=C(C)C)c(F)c2)c(OC)cc1-c1ccc(N)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)c(F)c1.COc1cc(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(F)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.COc1cc(-c2ccc(OCc3ccccn3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)cc1.
What is the InChIKey of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate?
The InChIKey is SIUZJCFWPYRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FO9S2.C30H30O9S2.C29H27FO6S.C28H25FO5.C28H27NO9S2.C27H24FNO6S.C26H27FO5.C25H26FNO3.C25H25FO5/c1-19-6-8-20(9-7-19)18-38-27-13-11-22(15-30(27)40-42(5,34)35)24-17-28(36-2)23(16-29(24)37-3)21-10-12-26(25(31)14-21)39-41(4,32)33;1-20-6-8-21(9-7-20)19-37-27-15-12-23(16-30(27)39-41(5,33)34)26-18-28(35-2)25(17-29(26)36-3)22-10-13-24(14-11-22)38-40(4,31)32;1-19-5-7-20(8-6-19)18-35-27-14-11-22(15-26(27)30)25-17-28(33-2)24(16-29(25)34-3)21-9-12-23(13-10-21)36-37(4,31)32;1-17-4-6-18(7-5-17)16-34-26-11-9-20(13-25(26)31)22-15-27(32-2)21(14-28(22)33-3)19-8-10-24(30)23(29)12-19;1-34-26-17-24(27(35-2)16-23(26)19-8-11-22(12-9-19)37-39(3,30)31)20-10-13-25(28(15-20)38-40(4,32)33)36-18-21-7-5-6-14-29-21;1-32-26-16-23(19-9-12-25(24(28)14-19)34-17-20-6-4-5-13-29-20)27(33-2)15-22(26)18-7-10-21(11-8-18)35-36(3,30)31;1-16(2)6-5-11-32-24-10-8-18(13-23(24)29)20-15-25(30-3)19(14-26(20)31-4)17-7-9-22(28)21(27)12-17;1-16(2)11-12-30-23-10-7-18(13-22(23)26)21-15-24(28-3)20(14-25(21)29-4)17-5-8-19(27)9-6-17;1-15(2)9-10-31-23-8-6-17(12-22(23)28)19-14-24(29-3)18(13-25(19)30-4)16-5-7-21(27)20(26)11-16/h6-17H,18H2,1-5H3;6-18H,19H2,1-5H3;5-17H,18H2,1-4H3;4-15,30-31H,16H2,1-3H3;5-17H,18H2,1-4H3;4-16H,17H2,1-3H3;6-10,12-15,28-29H,5,11H2,1-4H3;5-11,13-15H,12,27H2,1-4H3;5-9,11-14,27-28H,10H2,1-4H3.
What are the key properties of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate?
[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate has a molecular weight of 4564.13 g/mol, XLogP of 52.76, 80 rotatable bonds, 7 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]-2-fluorophenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-fluoro-4-[4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-2,5-dimethoxyphenyl]phenol;2-fluoro-4-[4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenol;4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]aniline;[4-[4-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate;[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,5-dimethoxyphenyl]phenyl] methanesulfonate is sourced from PubChem (CID 160847410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).