(3-bromophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 77396
• Molecular Formular: C14H11BrO2
• Molecular Mass: 291.13994
• Monoisotopic Mass: 289.99424159
• SMILES: O=C(c1cccc(c1)Br)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cccc(c1)Br
• InChI: InChI=1S/C14H11BrO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
• InChIKey: VIRBFLHMELPKFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (3-bromophenyl)(4-methoxyphenyl)methanone
• Synonyms: (3-Bromophenyl)(4-methoxyphenyl)methanone; 3-Bromo-4'-methoxybenzophenone; (3-Bromophenyl)(4-methoxyphenyl)methanone

Database IDs

• CAS Number: 54118-76-2
• MDL Number: MFCD01311588
• PubChem SID: 162042269
• PubChem CID: 2757031

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.04368
• LogD (pH = 7.4): 4.04368
• Log P: 4.04368
• Molar Refractivity: 70.7195 cm^3
• Polarizability: 27.212208 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 95+%