(2-chloro-4-methoxyphenyl)(phenyl)methanone

• ChemBase ID: 263507
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: c1(C(=O)c2ccccc2)c(cc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(c(c1)Cl)C(=O)c1ccccc1
• InChI: InChI=1S/C14H11ClO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9H,1H3
• InChIKey: NWJSWIHXEQZFDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-methoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (2-chloro-4-methoxyphenyl)(phenyl)methanone
• Synonyms: (2-chloro-4-methoxyphenyl)phenylmethanone

Database IDs

• MDL Number: MFCD12434896
• PubChem SID: 164319417
• PubChem CID: 12285979

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: 26.373106 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.895

Product Information

• Purity: 95%