4-(3-benzylphenyl)phenol

C19H16O — CID 101277658

IUPAC4-(3-benzylphenyl)phenol
SMILESOc1ccc(-c2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H16O/c20-19-11-9-17(10-12-19)18-8-4-7-16(14-18)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyKBDMHZUDIRJLDD-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.65
Rot. Bonds3

About 4-(3-benzylphenyl)phenol

4-(3-benzylphenyl)phenol (PubChem CID 101277658) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-benzylphenyl)phenol.

Molecular Properties

Compound Name4-(3-benzylphenyl)phenol
PubChem CID101277658
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name4-(3-benzylphenyl)phenol
SMILESOc1ccc(-c2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H16O/c20-19-11-9-17(10-12-19)18-8-4-7-16(14-18)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyKBDMHZUDIRJLDD-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-benzylphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylphenyl)phenol?
The IUPAC name of 4-(3-benzylphenyl)phenol (CID 101277658) is 4-(3-benzylphenyl)phenol.
What is the SMILES notation for 4-(3-benzylphenyl)phenol?
The canonical SMILES for 4-(3-benzylphenyl)phenol is Oc1ccc(-c2cccc(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-(3-benzylphenyl)phenol?
The InChIKey is KBDMHZUDIRJLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c20-19-11-9-17(10-12-19)18-8-4-7-16(14-18)13-15-5-2-1-3-6-15/h1-12,14,20H,13H2.
What are the key properties of 4-(3-benzylphenyl)phenol?
4-(3-benzylphenyl)phenol has a molecular weight of 260.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylphenyl)phenol is sourced from PubChem (CID 101277658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).