2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol

C161H144Cl2N2O44S3 — CID 160998410

About 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol

2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol (PubChem CID 160998410) has the molecular formula C161H144Cl2N2O44S3 and a molecular weight of 2978.00 g/mol. Its IUPAC name is 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

Molecular Properties

• Compound Name: 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol
• PubChem CID: 160998410
• Molecular Formula: C161H144Cl2N2O44S3
• Molecular Weight: 2978.00 g/mol
• Exact Mass: 2974.76
• IUPAC Name: 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol
• SMILES: COc1cc(-c2ccc(O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(Cl)Cl)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccccn2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2cccnc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1
• InChI: InChI=1S/C30H28O11S2.C28H26O8S.C28H24O7.2C26H23NO6.C23H20Cl2O6/c1-37-26-17-23(20-10-13-22(14-11-20)40-42(3,33)34)29(38-2)28(30(31)32)27(26)21-12-15-24(25(16-21)41-43(4,35)36)39-18-19-8-6-5-7-9-19;1-33-25-16-22(19-9-12-21(29)13-10-19)27(34-2)28(36-37(3,31)32)26(25)20-11-14-24(23(30)15-20)35-17-18-7-5-4-6-8-18;1-33-24-15-21(18-8-11-20(29)12-9-18)27(34-2)26(28(31)32)25(24)19-10-13-23(22(30)14-19)35-16-17-6-4-3-5-7-17;1-31-23-13-20(17-5-8-19(28)9-6-17)26(32-2)25(30)24(23)18-7-10-22(21(29)12-18)33-15-16-4-3-11-27-14-16;1-31-23-14-20(16-6-9-19(28)10-7-16)26(32-2)25(30)24(23)17-8-11-22(21(29)13-17)33-15-18-5-3-4-12-27-18;1-29-19-12-16(13-3-6-15(26)7-4-13)23(30-2)22(28)21(19)14-5-8-18(17(27)11-14)31-10-9-20(24)25/h5-17H,18H2,1-4H3,(H,31,32);4-16,29-30H,17H2,1-3H3;3-15,29-30H,16H2,1-2H3,(H,31,32);2*3-14,28-30H,15H2,1-2H3;3-9,11-12,26-28H,10H2,1-2H3
• InChIKey: TVNWZLODWVHNKH-UHFFFAOYSA-N
• XLogP: 32.19
• TPSA: 659.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 44
• Rotatable Bonds: 50
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2978.00
LogP ≤ 5	32.19
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-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The IUPAC name of 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol (CID 160998410) is 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

What is the SMILES notation for 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The canonical SMILES for 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(Cl)Cl)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccccn2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2cccnc2)c(O)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.

What is the InChIKey of 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

The InChIKey is TVNWZLODWVHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O11S2.C28H26O8S.C28H24O7.2C26H23NO6.C23H20Cl2O6/c1-37-26-17-23(20-10-13-22(14-11-20)40-42(3,33)34)29(38-2)28(30(31)32)27(26)21-12-15-24(25(16-21)41-43(4,35)36)39-18-19-8-6-5-7-9-19;1-33-25-16-22(19-9-12-21(29)13-10-19)27(34-2)28(36-37(3,31)32)26(25)20-11-14-24(23(30)15-20)35-17-18-7-5-4-6-8-18;1-33-24-15-21(18-8-11-20(29)12-9-18)27(34-2)26(28(31)32)25(24)19-10-13-23(22(30)14-19)35-16-17-6-4-3-5-7-17;1-31-23-13-20(17-5-8-19(28)9-6-17)26(32-2)25(30)24(23)18-7-10-22(21(29)12-18)33-15-16-4-3-11-27-14-16;1-31-23-14-20(16-6-9-19(28)10-7-16)26(32-2)25(30)24(23)17-8-11-22(21(29)13-17)33-15-18-5-3-4-12-27-18;1-29-19-12-16(13-3-6-15(26)7-4-13)23(30-2)22(28)21(19)14-5-8-18(17(27)11-14)31-10-9-20(24)25/h5-17H,18H2,1-4H3,(H,31,32);4-16,29-30H,17H2,1-3H3;3-15,29-30H,16H2,1-2H3,(H,31,32);2*3-14,28-30H,15H2,1-2H3;3-9,11-12,26-28H,10H2,1-2H3.

What are the key properties of 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol?

2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol has a molecular weight of 2978.00 g/mol, XLogP of 32.19, 50 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,3-dichloroprop-2-enoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;2,5-dimethoxy-3-(4-methylsulfonyloxyphenyl)-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoic acid;5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxybenzoic acid;[5-(4-hydroxyphenyl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenyl] methanesulfonate;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 160998410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).