(2-chlorophenyl)(2-methoxyphenyl)methanone

• ChemBase ID: 279213
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: C(=O)(c1c(Cl)cccc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)c1ccccc1Cl
• InChI: InChI=1S/C14H11ClO2/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h2-9H,1H3
• InChIKey: LUHKNTVBLSBHEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07698786
• PubChem SID: 164335123
• PubChem CID: 24722773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8789723
• LogD (pH = 7.4): 3.8789723
• Log P: 3.8789723
• Molar Refractivity: 67.9015 cm^3
• Polarizability: 26.371422 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 3.899

Product Information

• Purity: 95%