(2,4-dichlorophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 311634
• Molecular Formular: C14H10Cl2O2
• Molecular Mass: 281.134
• Monoisotopic Mass: 280.00578492
• SMILES: c1(C(=O)c2ccc(cc2)OC)c(cc(cc1)Cl)Cl
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8H,1H3
• InChIKey: PUVDARQEKWTLFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dichlorophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (2,4-dichlorophenyl)(4-methoxyphenyl)methanone
• Synonyms: (2,4-dichlorophenyl)(4-methoxyphenyl)methanone

Database IDs

• CAS Number: 66938-30-5
• MDL Number: MFCD02922596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.483017
• LogD (pH = 7.4): 4.483017
• Log P: 4.483017
• Molar Refractivity: 72.7063 cm^3
• Polarizability: 28.259832 Å^3
• Polar Surface Area: 26.3 Å^2