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

C57H60O7 — CID 59689291

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

4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol (PubChem CID 59689291) has the molecular formula C57H60O7 and a molecular weight of 857.10 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol.

Molecular Properties

• Compound Name: 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
• PubChem CID: 59689291
• Molecular Formula: C57H60O7
• Molecular Weight: 857.10 g/mol
• Exact Mass: 856.43
• IUPAC Name: 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
• SMILES: Cc1cc(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4)c3C)c2C)c1
• InChI: InChI=1S/C57H60O7/c1-30-18-45(26-41-20-31(2)55(62)51(35(41)6)28-43-22-33(4)53(60)49(37(43)8)24-39-10-14-47(58)15-11-39)57(64)46(19-30)27-42-21-32(3)56(63)52(36(42)7)29-44-23-34(5)54(61)50(38(44)9)25-40-12-16-48(59)17-13-40/h10-23,58-64H,24-29H2,1-9H3
• InChIKey: HHLXGIWLDYKKSF-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 141.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.10
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol (CID 59689291) is 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol.

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

The canonical SMILES for 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol is Cc1cc(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4)c3C)c2C)c1.

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

The InChIKey is HHLXGIWLDYKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60O7/c1-30-18-45(26-41-20-31(2)55(62)51(35(41)6)28-43-22-33(4)53(60)49(37(43)8)24-39-10-14-47(58)15-11-39)57(64)46(19-30)27-42-21-32(3)56(63)52(36(42)7)29-44-23-34(5)54(61)50(38(44)9)25-40-12-16-48(59)17-13-40/h10-23,58-64H,24-29H2,1-9H3.

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

4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol has a molecular weight of 857.10 g/mol, XLogP of 11.95, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol is sourced from PubChem (CID 59689291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).