(2-bromophenyl)(phenyl)methanol

• ChemBase ID: 276630
• Molecular Formular: C13H11BrO
• Molecular Mass: 263.12984
• Monoisotopic Mass: 261.99932697
• SMILES: c1(C(c2ccccc2)O)c(Br)cccc1
• Canonical SMILES: Brc1ccccc1C(c1ccccc1)O
• InChI: InChI=1S/C13H11BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H
• InChIKey: PFNIDHUYBLYJGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromophenyl)(phenyl)methanol
• IUPAC Traditional name: (2-bromophenyl)(phenyl)methanol
• Synonyms: (2-bromophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD08443159
• PubChem SID: 164332540
• PubChem CID: 11425518

CALCULATED PROPERTIES

• Acid pKa: 13.586434
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.758889
• LogD (pH = 7.4): 3.7588885
• Log P: 3.758889
• Molar Refractivity: 64.7795 cm^3
• Polarizability: 25.062511 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%