4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol

C31H32O3 — CID 22392546

About 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol

4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol (PubChem CID 22392546) has the molecular formula C31H32O3 and a molecular weight of 452.59 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol.

Molecular Properties

• Compound Name: 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
• PubChem CID: 22392546
• Molecular Formula: C31H32O3
• Molecular Weight: 452.59 g/mol
• Exact Mass: 452.24
• IUPAC Name: 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
• SMILES: Cc1cc(C(C)(c2ccc(C(C)(C)c3ccc(O)cc3)cc2)c2ccc(O)c(C)c2)ccc1O
• InChI: InChI=1S/C31H32O3/c1-20-18-25(12-16-28(20)33)31(5,26-13-17-29(34)21(2)19-26)24-8-6-22(7-9-24)30(3,4)23-10-14-27(32)15-11-23/h6-19,32-34H,1-5H3
• InChIKey: STMLTYYKWLXFPS-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.59
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol?

The IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol (CID 22392546) is 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol.

What is the SMILES notation for 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol?

The canonical SMILES for 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol is Cc1cc(C(C)(c2ccc(C(C)(C)c3ccc(O)cc3)cc2)c2ccc(O)c(C)c2)ccc1O.

What is the InChIKey of 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol?

The InChIKey is STMLTYYKWLXFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O3/c1-20-18-25(12-16-28(20)33)31(5,26-13-17-29(34)21(2)19-26)24-8-6-22(7-9-24)30(3,4)23-10-14-27(32)15-11-23/h6-19,32-34H,1-5H3.

What are the key properties of 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol?

4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol has a molecular weight of 452.59 g/mol, XLogP of 7.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol is sourced from PubChem (CID 22392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).