1-(4-chlorophenyl)-2-(4-methylphenyl)ethan-1-one

• ChemBase ID: 309827
• Molecular Formular: C15H13ClO
• Molecular Mass: 244.71612
• Monoisotopic Mass: 244.06549272
• SMILES: C(=O)(c1ccc(cc1)Cl)Cc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CC(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H13ClO/c1-11-2-4-12(5-3-11)10-15(17)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3
• InChIKey: UIOOUZZICDASHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2-(4-methylphenyl)ethan-1-one
• IUPAC Traditional name: 1-(4-chlorophenyl)-2-(4-methylphenyl)ethanone
• Synonyms: 1-(4-chlorophenyl)-2-(4-methylphenyl)ethanone

Database IDs

• CAS Number: 15221-84-8
• MDL Number: MFCD00018688

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4826994
• LogD (pH = 7.4): 4.4826994
• Log P: 4.4826994
• Molar Refractivity: 71.0287 cm^3
• Polarizability: 27.289581 Å^3
• Polar Surface Area: 17.07 Å^2