[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol

C198H189F15O43S6 — CID 159182495

IUPAC[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(OS(C)(=O)=O)c1
InChIInChI=1S/C31H29F3O9S2.C31H32O9S3.C29H25F3O5.C28H23F3O5.C27H27F3O5.C26H25F3O5.C26H28O5S/c1-19-6-8-20(9-7-19)18-41-26-15-12-22(16-25(26)31(32,33)34)28-27(39-2)17-24(29(40-3)30(28)43-45(5,37)38)21-10-13-23(14-11-21)42-44(4,35)36;1-20-7-9-21(10-8-20)19-38-26-16-13-23(17-27(26)39-42(5,32)33)29-28(36-2)18-25(22-11-14-24(41-4)15-12-22)30(37-3)31(29)40-43(6,34)35;1-17-4-6-18(7-5-17)16-37-24-13-10-20(14-23(24)29(30,31)32)26-25(35-2)15-22(28(36-3)27(26)34)19-8-11-21(33)12-9-19;1-34-24-15-21(18-8-11-20(32)12-9-18)27(35-2)26(33)25(24)19-10-13-23(22(14-19)28(29,30)31)36-16-17-6-4-3-5-7-17;1-16(2)6-5-13-35-22-12-9-18(14-21(22)27(28,29)30)24-23(33-3)15-20(26(34-4)25(24)32)17-7-10-19(31)11-8-17;1-15(2)11-12-34-21-10-7-17(13-20(21)26(27,28)29)23-22(32-3)14-19(25(33-4)24(23)31)16-5-8-18(30)9-6-16;1-16(2)12-13-31-22-11-8-18(14-21(22)27)24-23(29-3)15-20(26(30-4)25(24)28)17-6-9-19(32-5)10-7-17/h6-17H,18H2,1-5H3;7-18H,19H2,1-6H3;4-15,33-34H,16H2,1-3H3;3-15,32-33H,16H2,1-2H3;6-12,14-15,31-32H,5,13H2,1-4H3;5-11,13-14,30-31H,12H2,1-4H3;6-12,14-15,27-28H,13H2,1-5H3
InChIKeyKNBQIVGZTHJSQG-UHFFFAOYSA-N
MW3734.02 g/mol
LogP47.88
Rot. Bonds60

About [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol

[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol (PubChem CID 159182495) has the molecular formula C198H189F15O43S6 and a molecular weight of 3734.02 g/mol. Its IUPAC name is [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol
PubChem CID159182495
Molecular FormulaC198H189F15O43S6
Molecular Weight3734.02 g/mol
Exact Mass3731.07
IUPAC Name[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(OS(C)(=O)=O)c1
InChIInChI=1S/C31H29F3O9S2.C31H32O9S3.C29H25F3O5.C28H23F3O5.C27H27F3O5.C26H25F3O5.C26H28O5S/c1-19-6-8-20(9-7-19)18-41-26-15-12-22(16-25(26)31(32,33)34)28-27(39-2)17-24(29(40-3)30(28)43-45(5,37)38)21-10-13-23(14-11-21)42-44(4,35)36;1-20-7-9-21(10-8-20)19-38-26-16-13-23(17-27(26)39-42(5,32)33)29-28(36-2)18-25(22-11-14-24(41-4)15-12-22)30(37-3)31(29)40-43(6,34)35;1-17-4-6-18(7-5-17)16-37-24-13-10-20(14-23(24)29(30,31)32)26-25(35-2)15-22(28(36-3)27(26)34)19-8-11-21(33)12-9-19;1-34-24-15-21(18-8-11-20(32)12-9-18)27(35-2)26(33)25(24)19-10-13-23(22(14-19)28(29,30)31)36-16-17-6-4-3-5-7-17;1-16(2)6-5-13-35-22-12-9-18(14-21(22)27(28,29)30)24-23(33-3)15-20(26(34-4)25(24)32)17-7-10-19(31)11-8-17;1-15(2)11-12-34-21-10-7-17(13-20(21)26(27,28)29)23-22(32-3)14-19(25(33-4)24(23)31)16-5-8-18(30)9-6-16;1-16(2)12-13-31-22-11-8-18(14-21(22)27)24-23(29-3)15-20(26(30-4)25(24)28)17-6-9-19(32-5)10-7-17/h6-17H,18H2,1-5H3;7-18H,19H2,1-6H3;4-15,33-34H,16H2,1-3H3;3-15,32-33H,16H2,1-2H3;6-12,14-15,31-32H,5,13H2,1-4H3;5-11,13-14,30-31H,12H2,1-4H3;6-12,14-15,27-28H,13H2,1-5H3
InChIKeyKNBQIVGZTHJSQG-UHFFFAOYSA-N
XLogP47.88
TPSA569.61 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds60
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003734.02
LogP ≤ 547.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol 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-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol (CID 159182495) is [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCCC=C(C)C)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(C(F)(F)F)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(SC)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccc(C)cc2)c(OS(C)(=O)=O)c1.
What is the InChIKey of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol?
The InChIKey is KNBQIVGZTHJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3O9S2.C31H32O9S3.C29H25F3O5.C28H23F3O5.C27H27F3O5.C26H25F3O5.C26H28O5S/c1-19-6-8-20(9-7-19)18-41-26-15-12-22(16-25(26)31(32,33)34)28-27(39-2)17-24(29(40-3)30(28)43-45(5,37)38)21-10-13-23(14-11-21)42-44(4,35)36;1-20-7-9-21(10-8-20)19-38-26-16-13-23(17-27(26)39-42(5,32)33)29-28(36-2)18-25(22-11-14-24(41-4)15-12-22)30(37-3)31(29)40-43(6,34)35;1-17-4-6-18(7-5-17)16-37-24-13-10-20(14-23(24)29(30,31)32)26-25(35-2)15-22(28(36-3)27(26)34)19-8-11-21(33)12-9-19;1-34-24-15-21(18-8-11-20(32)12-9-18)27(35-2)26(33)25(24)19-10-13-23(22(14-19)28(29,30)31)36-16-17-6-4-3-5-7-17;1-16(2)6-5-13-35-22-12-9-18(14-21(22)27(28,29)30)24-23(33-3)15-20(26(34-4)25(24)32)17-7-10-19(31)11-8-17;1-15(2)11-12-34-21-10-7-17(13-20(21)26(27,28)29)23-22(32-3)14-19(25(33-4)24(23)31)16-5-8-18(30)9-6-16;1-16(2)12-13-31-22-11-8-18(14-21(22)27)24-23(29-3)15-20(26(30-4)25(24)28)17-6-9-19(32-5)10-7-17/h6-17H,18H2,1-5H3;7-18H,19H2,1-6H3;4-15,33-34H,16H2,1-3H3;3-15,32-33H,16H2,1-2H3;6-12,14-15,31-32H,5,13H2,1-4H3;5-11,13-14,30-31H,12H2,1-4H3;6-12,14-15,27-28H,13H2,1-5H3.
What are the key properties of [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol?
[4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol has a molecular weight of 3734.02 g/mol, XLogP of 47.88, 60 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethoxy-4-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[5-[3,6-dimethoxy-4-(4-methylsulfanylphenyl)-2-methylsulfonyloxyphenyl]-2-[(4-methylphenyl)methoxy]phenyl] methanesulfonate;2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethoxy-5-(4-methylsulfanylphenyl)phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]phenol;3-(4-hydroxyphenyl)-2,5-dimethoxy-6-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 159182495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).