(3-bromophenyl)(phenyl)methanol

• ChemBase ID: 270489
• Molecular Formular: C13H11BrO
• Molecular Mass: 263.12984
• Monoisotopic Mass: 261.99932697
• SMILES: c1(C(c2ccccc2)O)cc(Br)ccc1
• Canonical SMILES: Brc1cccc(c1)C(c1ccccc1)O
• InChI: InChI=1S/C13H11BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
• InChIKey: QAJARQNJEMLYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)(phenyl)methanol
• IUPAC Traditional name: (3-bromophenyl)(phenyl)methanol
• Synonyms: (3-bromophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD00449886
• PubChem SID: 164326399
• PubChem CID: 285827

CALCULATED PROPERTIES

• Acid pKa: 13.683898
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.758889
• LogD (pH = 7.4): 3.7588887
• Log P: 3.758889
• Molar Refractivity: 64.7795 cm^3
• Polarizability: 25.061539 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.315

Product Information

• Purity: 95%