4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol

C34H38O4 — CID 58205477

About 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol

4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol (PubChem CID 58205477) has the molecular formula C34H38O4 and a molecular weight of 510.67 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol.

Molecular Properties

• Compound Name: 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol
• PubChem CID: 58205477
• Molecular Formula: C34H38O4
• Molecular Weight: 510.67 g/mol
• Exact Mass: 510.28
• IUPAC Name: 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol
• SMILES: Cc1cc(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)c(O)c(C)c4)c3C)cc(C)c2O)ccc1O
• InChI: InChI=1S/C34H38O4/c1-18-10-25(8-9-31(18)35)15-29-23(6)27(13-21(4)33(29)37)17-28-14-22(5)34(38)30(24(28)7)16-26-11-19(2)32(36)20(3)12-26/h8-14,35-38H,15-17H2,1-7H3
• InChIKey: RLPPEFVXJXXKEM-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.67
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol?

The IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol (CID 58205477) is 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol.

What is the SMILES notation for 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol?

The canonical SMILES for 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol is Cc1cc(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)c(O)c(C)c4)c3C)cc(C)c2O)ccc1O.

What is the InChIKey of 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol?

The InChIKey is RLPPEFVXJXXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4/c1-18-10-25(8-9-31(18)35)15-29-23(6)27(13-21(4)33(29)37)17-28-14-22(5)34(38)30(24(28)7)16-26-11-19(2)32(36)20(3)12-26/h8-14,35-38H,15-17H2,1-7H3.

What are the key properties of 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol?

4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol has a molecular weight of 510.67 g/mol, XLogP of 7.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol is sourced from PubChem (CID 58205477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).