(4-chlorophenyl)(4-methoxy-3-methylphenyl)methanone

• ChemBase ID: 277263
• Molecular Formular: C15H13ClO2
• Molecular Mass: 260.71552
• Monoisotopic Mass: 260.06040734
• SMILES: c1(C(=O)c2ccc(cc2)Cl)cc(c(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1C)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H13ClO2/c1-10-9-12(5-8-14(10)18-2)15(17)11-3-6-13(16)7-4-11/h3-9H,1-2H3
• InChIKey: MQUNHTMSLSWKSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(4-methoxy-3-methylphenyl)methanone
• IUPAC Traditional name: (4-chlorophenyl)(4-methoxy-3-methylphenyl)methanone
• Synonyms: (4-chlorophenyl)(4-methoxy-3-methylphenyl)methanone

Database IDs

• MDL Number: MFCD09891288
• PubChem SID: 164333173
• PubChem CID: 14297436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3923936
• LogD (pH = 7.4): 4.3923936
• Log P: 4.3923936
• Molar Refractivity: 72.9427 cm^3
• Polarizability: 28.122007 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 4.658

Product Information

• Purity: 95%