4-(3-chlorobenzoyl)phenol

• ChemBase ID: 164335
• Molecular Formular: C13H9ClO2
• Molecular Mass: 232.66236
• Monoisotopic Mass: 232.02910721
• SMILES: c1(C(=O)c2cccc(c2)Cl)ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C13H9ClO2/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,15H
• InChIKey: RFARANORDJNAEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chlorobenzoyl)phenol
• IUPAC Traditional name: 4-(3-chlorobenzoyl)phenol
• Synonyms: (3-Chlorophenyl)(4-hydroxyphenyl)methanone; 4-(3-chlorobenzoyl)phenol; 3-Chloro-4'-hydroxybenzophenone

Database IDs

• CAS Number: 61002-52-6
• PubChem SID: 162258470
• PubChem CID: 12299672

CALCULATED PROPERTIES

• Acid pKa: 7.8434706
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7311263
• LogD (pH = 7.4): 3.600503
• Log P: 3.7330782
• Molar Refractivity: 63.4192 cm^3
• Polarizability: 24.441687 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 - C366695

Fenofibric Acid intermediate.