(2-chlorophenyl)(4-methoxy-2-methylphenyl)methanone

• ChemBase ID: 284735
• Molecular Formular: C15H13ClO2
• Molecular Mass: 260.71552
• Monoisotopic Mass: 260.06040734
• SMILES: C(=O)(c1c(cc(cc1)OC)C)c1c(Cl)cccc1
• Canonical SMILES: COc1ccc(c(c1)C)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClO2/c1-10-9-11(18-2)7-8-12(10)15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3
• InChIKey: DCXCNRVTZOETJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20731135
• PubChem SID: 180670266
• PubChem CID: 20306649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3923936
• LogD (pH = 7.4): 4.3923936
• Log P: 4.3923936
• Molar Refractivity: 72.9427 cm^3
• Polarizability: 28.13454 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.398

Product Information

• Purity: 95%