5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide

C198H197F5N2O50S7 — CID 160945292

IUPAC5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2OS(C)(=O)=O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)c(C)c2OS(C)(=O)=O)cc1OS(C)(=O)=O.CCOC(=O)c1cc(OC)c(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(O)c3)c(O)c2OC)c(OC)c1.COc1cc(-c2ccc(N)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.Cc1ccc(COc2ccc(-c3cc(C)c(-c4ccc(OS(C)(=O)=O)cc4)c(C)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C32H32O9.C31H32O10S3.C29H23F4NO6.C28H32O10S3.C27H24FNO5.C26H28O6S.C25H26O4/c1-6-40-32(35)21-15-25(36-2)29(26(16-21)37-3)22-17-27(38-4)28(30(34)31(22)39-5)20-12-13-24(23(33)14-20)41-18-19-10-8-7-9-11-19;1-20-7-9-23(10-8-20)19-38-28-16-13-25(18-29(28)40-43(5,34)35)27-17-21(2)30(22(3)31(27)41-44(6,36)37)24-11-14-26(15-12-24)39-42(4,32)33;1-38-24-14-20(19-10-9-18(13-21(19)30)34-28(37)29(31,32)33)27(39-2)26(36)25(24)17-8-11-23(22(35)12-17)40-15-16-6-4-3-5-7-16;1-18(2)14-15-35-25-13-10-22(17-26(25)37-40(6,31)32)24-16-19(3)27(20(4)28(24)38-41(7,33)34)21-8-11-23(12-9-21)36-39(5,29)30;1-32-24-14-20(19-10-9-18(29)13-21(19)28)27(33-2)26(31)25(24)17-8-11-23(22(30)12-17)34-15-16-6-4-3-5-7-16;1-16(2)12-13-31-24-11-8-20(15-23(24)28)22-14-17(3)25(19-6-9-21(27)10-7-19)18(4)26(22)32-33(5,29)30;1-15(2)11-12-29-23-10-7-19(14-22(23)27)21-13-16(3)24(17(4)25(21)28)18-5-8-20(26)9-6-18/h7-17,33-34H,6,18H2,1-5H3;7-18H,19H2,1-6H3;3-14,35-36H,15H2,1-2H3,(H,34,37);8-14,16-17H,15H2,1-7H3;3-14,30-31H,15,29H2,1-2H3;6-12,14-15,27-28H,13H2,1-5H3;5-11,13-14,26-28H,12H2,1-4H3
InChIKeySVAMDXFKKAWRNE-UHFFFAOYSA-N
MW3724.18 g/mol
LogP41.01
Rot. Bonds60

About 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide

5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide (PubChem CID 160945292) has the molecular formula C198H197F5N2O50S7 and a molecular weight of 3724.18 g/mol. Its IUPAC name is 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide.

Molecular Properties

Compound Name5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide
PubChem CID160945292
Molecular FormulaC198H197F5N2O50S7
Molecular Weight3724.18 g/mol
Exact Mass3721.09
IUPAC Name5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2OS(C)(=O)=O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)c(C)c2OS(C)(=O)=O)cc1OS(C)(=O)=O.CCOC(=O)c1cc(OC)c(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(O)c3)c(O)c2OC)c(OC)c1.COc1cc(-c2ccc(N)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.Cc1ccc(COc2ccc(-c3cc(C)c(-c4ccc(OS(C)(=O)=O)cc4)c(C)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1
InChIInChI=1S/C32H32O9.C31H32O10S3.C29H23F4NO6.C28H32O10S3.C27H24FNO5.C26H28O6S.C25H26O4/c1-6-40-32(35)21-15-25(36-2)29(26(16-21)37-3)22-17-27(38-4)28(30(34)31(22)39-5)20-12-13-24(23(33)14-20)41-18-19-10-8-7-9-11-19;1-20-7-9-23(10-8-20)19-38-28-16-13-25(18-29(28)40-43(5,34)35)27-17-21(2)30(22(3)31(27)41-44(6,36)37)24-11-14-26(15-12-24)39-42(4,32)33;1-38-24-14-20(19-10-9-18(13-21(19)30)34-28(37)29(31,32)33)27(39-2)26(36)25(24)17-8-11-23(22(35)12-17)40-15-16-6-4-3-5-7-16;1-18(2)14-15-35-25-13-10-22(17-26(25)37-40(6,31)32)24-16-19(3)27(20(4)28(24)38-41(7,33)34)21-8-11-23(12-9-21)36-39(5,29)30;1-32-24-14-20(19-10-9-18(29)13-21(19)28)27(33-2)26(31)25(24)17-8-11-23(22(30)12-17)34-15-16-6-4-3-5-7-16;1-16(2)12-13-31-24-11-8-20(15-23(24)28)22-14-17(3)25(19-6-9-21(27)10-7-19)18(4)26(22)32-33(5,29)30;1-15(2)11-12-29-23-10-7-19(14-22(23)27)21-13-16(3)24(17(4)25(21)28)18-5-8-20(26)9-6-18/h7-17,33-34H,6,18H2,1-5H3;7-18H,19H2,1-6H3;3-14,35-36H,15H2,1-2H3,(H,34,37);8-14,16-17H,15H2,1-7H3;3-14,30-31H,15,29H2,1-2H3;6-12,14-15,27-28H,13H2,1-5H3;5-11,13-14,26-28H,12H2,1-4H3
InChIKeySVAMDXFKKAWRNE-UHFFFAOYSA-N
XLogP41.01
TPSA745.99 Ų
H-Bond Donors13
H-Bond Acceptors51
Rotatable Bonds60
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003724.18
LogP ≤ 541.01
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide?
The IUPAC name of 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide (CID 160945292) is 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide.
What is the SMILES notation for 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide?
The canonical SMILES for 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2OS(C)(=O)=O)cc1O.CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)c(C)c2OS(C)(=O)=O)cc1OS(C)(=O)=O.CCOC(=O)c1cc(OC)c(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(O)c3)c(O)c2OC)c(OC)c1.COc1cc(-c2ccc(N)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2F)c(OC)c(O)c1-c1ccc(OCc2ccccc2)c(O)c1.Cc1ccc(COc2ccc(-c3cc(C)c(-c4ccc(OS(C)(=O)=O)cc4)c(C)c3OS(C)(=O)=O)cc2OS(C)(=O)=O)cc1.
What is the InChIKey of 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide?
The InChIKey is SVAMDXFKKAWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O9.C31H32O10S3.C29H23F4NO6.C28H32O10S3.C27H24FNO5.C26H28O6S.C25H26O4/c1-6-40-32(35)21-15-25(36-2)29(26(16-21)37-3)22-17-27(38-4)28(30(34)31(22)39-5)20-12-13-24(23(33)14-20)41-18-19-10-8-7-9-11-19;1-20-7-9-23(10-8-20)19-38-28-16-13-25(18-29(28)40-43(5,34)35)27-17-21(2)30(22(3)31(27)41-44(6,36)37)24-11-14-26(15-12-24)39-42(4,32)33;1-38-24-14-20(19-10-9-18(13-21(19)30)34-28(37)29(31,32)33)27(39-2)26(36)25(24)17-8-11-23(22(35)12-17)40-15-16-6-4-3-5-7-16;1-18(2)14-15-35-25-13-10-22(17-26(25)37-40(6,31)32)24-16-19(3)27(20(4)28(24)38-41(7,33)34)21-8-11-23(12-9-21)36-39(5,29)30;1-32-24-14-20(19-10-9-18(29)13-21(19)28)27(33-2)26(31)25(24)17-8-11-23(22(30)12-17)34-15-16-6-4-3-5-7-16;1-16(2)12-13-31-24-11-8-20(15-23(24)28)22-14-17(3)25(19-6-9-21(27)10-7-19)18(4)26(22)32-33(5,29)30;1-15(2)11-12-29-23-10-7-19(14-22(23)27)21-13-16(3)24(17(4)25(21)28)18-5-8-20(26)9-6-18/h7-17,33-34H,6,18H2,1-5H3;7-18H,19H2,1-6H3;3-14,35-36H,15H2,1-2H3,(H,34,37);8-14,16-17H,15H2,1-7H3;3-14,30-31H,15,29H2,1-2H3;6-12,14-15,27-28H,13H2,1-5H3;5-11,13-14,26-28H,12H2,1-4H3.
What are the key properties of 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide?
5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide has a molecular weight of 3724.18 g/mol, XLogP of 41.01, 60 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluorophenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol;[4-[2,6-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,6-dimethyl-4-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;ethyl 4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]-3,5-dimethoxybenzoate;6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenol;[6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2,4-dimethylphenyl] methanesulfonate;2,2,2-trifluoro-N-[3-fluoro-4-[3-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl]acetamide is sourced from PubChem (CID 160945292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).