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

• ChemBase ID: 796628
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: C(=O)(c1cc(c(cc1)OC)OC)c1ccc(cc1)Cl
• Canonical SMILES: COc1cc(ccc1OC)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
• InChIKey: MLLIIHAKTPXMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(3,4-dimethoxyphenyl)methanone
• IUPAC Traditional name: (4-chlorophenyl)(3,4-dimethoxyphenyl)methanone
• Synonyms: (4-Chlorophenyl)(3,4-diMethoxyphenyl)Methanone

Database IDs

• CAS Number: 116412-83-0

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: 28.882536 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%