2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol

C165H149Cl2FN2O42S3 — CID 158210482

About 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol

2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol (PubChem CID 158210482) has the molecular formula C165H149Cl2FN2O42S3 and a molecular weight of 3018.08 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

Molecular Properties

• Compound Name: 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
• PubChem CID: 158210482
• Molecular Formula: C165H149Cl2FN2O42S3
• Molecular Weight: 3018.08 g/mol
• Exact Mass: 3014.81
• IUPAC Name: 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
• SMILES: COc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccc(C)cc3)c(O)c2)c1O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(Cl)cc2Cl)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(F)cc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccncc2)c(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.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(O)cc4)c(OC)c3O)cc2O)cc1
• InChI: InChI=1S/C29H29NO12S3.C28H26O7.C28H26O5.C27H22Cl2O6.C27H23FO6.C26H23NO6/c1-37-26-16-23(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;1-32-21-11-4-17(5-12-21)16-35-24-13-8-19(14-23(24)30)26-25(33-2)15-22(28(34-3)27(26)31)18-6-9-20(29)10-7-18;1-17-4-6-19(7-5-17)16-33-25-13-10-21(15-24(25)30)26-18(2)14-23(28(32-3)27(26)31)20-8-11-22(29)12-9-20;1-33-24-13-20(15-4-8-19(30)9-5-15)27(34-2)26(32)25(24)16-6-10-23(22(31)11-16)35-14-17-3-7-18(28)12-21(17)29;1-32-24-14-21(17-5-10-20(29)11-6-17)27(33-2)26(31)25(24)18-7-12-23(22(30)13-18)34-15-16-3-8-19(28)9-4-16;1-31-23-14-20(17-3-6-19(28)7-4-17)26(32-2)25(30)24(23)18-5-8-22(21(29)13-18)33-15-16-9-11-27-12-10-16/h6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;4-15,29-31H,16H2,1-3H3;3-13,30-32H,14H2,1-2H3;3-14,29-31H,15H2,1-2H3;3-14,28-30H,15H2,1-2H3
• InChIKey: GCABABSNCLEOCS-UHFFFAOYSA-N
• XLogP: 34.15
• TPSA: 625.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 44
• Rotatable Bonds: 48
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3018.08
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol (CID 158210482) is 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol is COc1c(-c2ccc(O)cc2)cc(C)c(-c2ccc(OCc3ccc(C)cc3)c(O)c2)c1O.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(Cl)cc2Cl)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(F)cc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccncc2)c(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.COc1ccc(COc2ccc(-c3c(OC)cc(-c4ccc(O)cc4)c(OC)c3O)cc2O)cc1.

What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The InChIKey is GCABABSNCLEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO12S3.C28H26O7.C28H26O5.C27H22Cl2O6.C27H23FO6.C26H23NO6/c1-37-26-16-23(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;1-32-21-11-4-17(5-12-21)16-35-24-13-8-19(14-23(24)30)26-25(33-2)15-22(28(34-3)27(26)31)18-6-9-20(29)10-7-18;1-17-4-6-19(7-5-17)16-33-25-13-10-21(15-24(25)30)26-18(2)14-23(28(32-3)27(26)31)20-8-11-22(29)12-9-20;1-33-24-13-20(15-4-8-19(30)9-5-15)27(34-2)26(32)25(24)16-6-10-23(22(31)11-16)35-14-17-3-7-18(28)12-21(17)29;1-32-24-14-21(17-5-10-20(29)11-6-17)27(33-2)26(31)25(24)18-7-12-23(22(30)13-18)34-15-16-3-8-19(28)9-4-16;1-31-23-14-20(17-3-6-19(28)7-4-17)26(32-2)25(30)24(23)18-5-8-22(21(29)13-18)33-15-16-9-11-27-12-10-16/h6-17H,18H2,1-5H3;4-15,29-31H,16H2,1-3H3;4-15,29-31H,16H2,1-3H3;3-13,30-32H,14H2,1-2H3;3-14,29-31H,15H2,1-2H3;3-14,28-30H,15H2,1-2H3.

What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol has a molecular weight of 3018.08 g/mol, XLogP of 34.15, 48 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,4-dichlorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-3-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;2-[4-[(4-fluorophenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 158210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).