4-(2-chlorobenzoyl)phenol

• ChemBase ID: 164334
• Molecular Formular: C13H9ClO2
• Molecular Mass: 232.66236
• Monoisotopic Mass: 232.02910721
• SMILES: c1(C(=O)c2ccccc2Cl)ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C13H9ClO2/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,15H
• InChIKey: BFFHEHNJSNFLRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorobenzoyl)phenol
• IUPAC Traditional name: 4-(2-chlorobenzoyl)phenol
• Synonyms: 2-Chlorophenyl-4-hydroxyphenyl-methanone; 2-Chloro-4'-hydroxybenzophenone; 2-Chloro-4'-hydroxybenzophenone

Database IDs

• CAS Number: 55270-71-8
• PubChem SID: 162258469
• PubChem CID: 6432544

CALCULATED PROPERTIES

• Acid pKa: 7.8200617
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7310185
• LogD (pH = 7.4): 3.5942411
• Log P: 3.7330782
• Molar Refractivity: 63.4192 cm^3
• Polarizability: 24.456678 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid

DETAILS

Toronto Research Chemicals - C366690

Fenofibric Acid intermediate.