(4-chlorophenyl)(4-ethoxyphenyl)methanone

• ChemBase ID: 311636
• Molecular Formular: C15H13ClO2
• Molecular Mass: 260.71552
• Monoisotopic Mass: 260.06040734
• SMILES: C(=O)(c1ccc(cc1)Cl)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H13ClO2/c1-2-18-14-9-5-12(6-10-14)15(17)11-3-7-13(16)8-4-11/h3-10H,2H2,1H3
• InChIKey: MKCCDWCVSBFUOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 71783-49-8
• MDL Number: MFCD03137786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2357802
• LogD (pH = 7.4): 4.2357802
• Log P: 4.2357802
• Molar Refractivity: 72.6501 cm^3
• Polarizability: 28.198114 Å^3
• Polar Surface Area: 26.3 Å^2