5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid

C181H184O40S — CID 162262220

About 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid

5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid (PubChem CID 162262220) has the molecular formula C181H184O40S and a molecular weight of 3031.49 g/mol. Its IUPAC name is 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid.

Molecular Properties

• Compound Name: 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid
• PubChem CID: 162262220
• Molecular Formula: C181H184O40S
• Molecular Weight: 3031.49 g/mol
• Exact Mass: 3029.21
• IUPAC Name: 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid
• SMILES: CCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.CCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.CCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(C(=O)O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(C(=O)O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1ccc(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(O)c3)c(CCO)c2OC)cc1
• InChI: InChI=1S/C33H36O8S.C32H34O6.C31H32O6.C30H30O6.C29H26O7.C26H26O7/c1-6-7-19-39-33-31(30(37-3)21-27(32(33)38-4)24-13-16-26(36-2)17-14-24)25-15-18-28(29(20-25)41-42(5,34)35)40-22-23-11-9-8-10-12-23;1-5-6-18-37-32-30(24-14-17-28(27(33)19-24)38-21-22-10-8-7-9-11-22)29(35-3)20-26(31(32)36-4)23-12-15-25(34-2)16-13-23;1-5-17-36-31-29(23-13-16-27(26(32)18-23)37-20-21-9-7-6-8-10-21)28(34-3)19-25(30(31)35-4)22-11-14-24(33-2)15-12-22;1-33-23-12-9-21(10-13-23)25-18-28(34-2)29(24(15-16-31)30(25)35-3)22-11-14-27(26(32)17-22)36-19-20-7-5-4-6-8-20;1-17-4-6-18(7-5-17)16-36-24-13-12-21(14-23(24)30)26-25(34-2)15-22(28(35-3)27(26)31)19-8-10-20(11-9-19)29(32)33;1-15(2)11-12-33-21-10-9-18(13-20(21)27)23-22(31-3)14-19(25(32-4)24(23)28)16-5-7-17(8-6-16)26(29)30/h8-18,20-21H,6-7,19,22H2,1-5H3;7-17,19-20,33H,5-6,18,21H2,1-4H3;6-16,18-19,32H,5,17,20H2,1-4H3;4-14,17-18,31-32H,15-16,19H2,1-3H3;4-15,30-31H,16H2,1-3H3,(H,32,33);5-11,13-14,27-28H,12H2,1-4H3,(H,29,30)
• InChIKey: ZZKFWAZBTMTXMA-UHFFFAOYSA-N
• XLogP: 39.17
• TPSA: 510.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 63
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.49
LogP ≤ 5	39.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

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'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid?

The IUPAC name of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid (CID 162262220) is 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid.

What is the SMILES notation for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid?

The canonical SMILES for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid is CCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.CCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1.CCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.COc1cc(-c2ccc(C(=O)O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1.COc1cc(-c2ccc(C(=O)O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc(C)cc2)c(O)c1.COc1ccc(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(O)c3)c(CCO)c2OC)cc1.

What is the InChIKey of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid?

The InChIKey is ZZKFWAZBTMTXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O8S.C32H34O6.C31H32O6.C30H30O6.C29H26O7.C26H26O7/c1-6-7-19-39-33-31(30(37-3)21-27(32(33)38-4)24-13-16-26(36-2)17-14-24)25-15-18-28(29(20-25)41-42(5,34)35)40-22-23-11-9-8-10-12-23;1-5-6-18-37-32-30(24-14-17-28(27(33)19-24)38-21-22-10-8-7-9-11-22)29(35-3)20-26(31(32)36-4)23-12-15-25(34-2)16-13-23;1-5-17-36-31-29(23-13-16-27(26(32)18-23)37-20-21-9-7-6-8-10-21)28(34-3)19-25(30(31)35-4)22-11-14-24(33-2)15-12-22;1-33-23-12-9-21(10-13-23)25-18-28(34-2)29(24(15-16-31)30(25)35-3)22-11-14-27(26(32)17-22)36-19-20-7-5-4-6-8-20;1-17-4-6-18(7-5-17)16-36-24-13-12-21(14-23(24)30)26-25(34-2)15-22(28(35-3)27(26)31)19-8-10-20(11-9-19)29(32)33;1-15(2)11-12-33-21-10-9-18(13-20(21)27)23-22(31-3)14-19(25(32-4)24(23)28)16-5-7-17(8-6-16)26(29)30/h8-18,20-21H,6-7,19,22H2,1-5H3;7-17,19-20,33H,5-6,18,21H2,1-4H3;6-16,18-19,32H,5,17,20H2,1-4H3;4-14,17-18,31-32H,15-16,19H2,1-3H3;4-15,30-31H,16H2,1-3H3,(H,32,33);5-11,13-14,27-28H,12H2,1-4H3,(H,29,30).

What are the key properties of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid?

5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid has a molecular weight of 3031.49 g/mol, XLogP of 39.17, 63 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid is sourced from PubChem (CID 162262220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).