(2-chlorophenyl)(4-ethylphenyl)methanone

• ChemBase ID: 277355
• Molecular Formular: C15H13ClO
• Molecular Mass: 244.71612
• Monoisotopic Mass: 244.06549272
• SMILES: C(=O)(c1c(Cl)cccc1)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClO/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
• InChIKey: UNGPISHBPOQJDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09801582
• PubChem SID: 164333265
• PubChem CID: 12556358

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9946337
• LogD (pH = 7.4): 4.9946337
• Log P: 4.9946337
• Molar Refractivity: 71.0805 cm^3
• Polarizability: 27.466814 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.737

Product Information

• Purity: 95%