(2-chlorophenyl)(4-ethoxyphenyl)methanone

• ChemBase ID: 279063
• Molecular Formular: C15H13ClO2
• Molecular Mass: 260.71552
• Monoisotopic Mass: 260.06040734
• SMILES: C(=O)(c1c(Cl)cccc1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClO2/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
• InChIKey: QCHLFZYUTATZMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00687607
• PubChem SID: 164334973
• PubChem CID: 3558406

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: 28.210655 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 4.428

Product Information

• Purity: 95%