(2-chlorophenyl)(3,4-dimethoxyphenyl)methanone

• ChemBase ID: 278172
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: C(=O)(c1c(Cl)cccc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9H,1-2H3
• InChIKey: HZUYRIJHVQPPEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(3,4-dimethoxyphenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(3,4-dimethoxyphenyl)methanone
• Synonyms: (2-chlorophenyl)(3,4-dimethoxyphenyl)methanone

Database IDs

• MDL Number: MFCD02127312
• PubChem SID: 164334082
• PubChem CID: 2754576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.721301
• LogD (pH = 7.4): 3.721301
• Log P: 3.721301
• Molar Refractivity: 74.3647 cm^3
• Polarizability: 28.894869 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 3.594

Product Information

• Purity: 95%