1-(3-bromophenyl)-2-phenylpropan-2-ol

• ChemBase ID: 279068
• Molecular Formular: C15H15BrO
• Molecular Mass: 291.183
• Monoisotopic Mass: 290.0306271
• SMILES: C(Cc1cc(Br)ccc1)(c1ccccc1)(O)C
• Canonical SMILES: Brc1cccc(c1)CC(c1ccccc1)(O)C
• InChI: InChI=1S/C15H15BrO/c1-15(17,13-7-3-2-4-8-13)11-12-6-5-9-14(16)10-12/h2-10,17H,11H2,1H3
• InChIKey: ZBYOVDJLZXAOCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromophenyl)-2-phenylpropan-2-ol
• IUPAC Traditional name: 1-(3-bromophenyl)-2-phenylpropan-2-ol
• Synonyms: 1-(3-bromophenyl)-2-phenylpropan-2-ol

Database IDs

• MDL Number: MFCD12723235
• PubChem SID: 164334978
• PubChem CID: 54595123

CALCULATED PROPERTIES

• Acid pKa: 14.194203
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.328127
• LogD (pH = 7.4): 4.3281264
• Log P: 4.328127
• Molar Refractivity: 74.1727 cm^3
• Polarizability: 28.656836 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.243

Product Information

• Purity: 95%