1-(4-bromophenyl)-2-phenylethan-1-ol

• ChemBase ID: 269455
• Molecular Formular: C14H13BrO
• Molecular Mass: 277.15642
• Monoisotopic Mass: 276.01497704
• SMILES: c1(C(Cc2ccccc2)O)ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)C(Cc1ccccc1)O
• InChI: InChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14,16H,10H2
• InChIKey: JYLIIPKJJWWRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-2-phenylethan-1-ol
• IUPAC Traditional name: 1-(4-bromophenyl)-2-phenylethanol
• Synonyms: 1-(4-bromophenyl)-2-phenylethan-1-ol

Database IDs

• MDL Number: MFCD12153464
• PubChem SID: 164325365
• PubChem CID: 10858776

CALCULATED PROPERTIES

• Acid pKa: 14.34172
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.04755
• LogD (pH = 7.4): 4.04755
• Log P: 4.04755
• Molar Refractivity: 69.5345 cm^3
• Polarizability: 26.824068 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.844

Product Information

• Purity: 95%