(2-chlorophenyl)(4-methylphenyl)methanone

• ChemBase ID: 277416
• Molecular Formular: C14H11ClO
• Molecular Mass: 230.68954
• Monoisotopic Mass: 230.04984265
• SMILES: C(=O)(c1c(Cl)cccc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C14H11ClO/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
• InChIKey: WIKUXHHNKRKVGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-methylphenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(4-methylphenyl)methanone
• Synonyms: (2-chlorophenyl)(4-methylphenyl)methanone

Database IDs

• MDL Number: MFCD01463397
• PubChem SID: 164333326
• PubChem CID: 22237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.550065
• LogD (pH = 7.4): 4.550065
• Log P: 4.550065
• Molar Refractivity: 66.4795 cm^3
• Polarizability: 25.623152 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 4.208

Product Information

• Purity: 95%