(2-bromo-3-phenylpropyl)benzene

• ChemBase ID: 236770
• Molecular Formular: C15H15Br
• Molecular Mass: 275.1836
• Monoisotopic Mass: 274.03571248
• SMILES: C(Cc1ccccc1)(Cc1ccccc1)Br
• Canonical SMILES: BrC(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H15Br/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChIKey: WRDJEAGKAJGLNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-3-phenylpropyl)benzene
• IUPAC Traditional name: (2-bromo-3-phenylpropyl)benzene
• Synonyms: (2-bromo-3-phenylpropyl)benzene

Database IDs

• MDL Number: MFCD00666050
• PubChem SID: 164292680
• PubChem CID: 2750000

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.107546
• LogD (pH = 7.4): 5.107546
• Log P: 5.107546
• Molar Refractivity: 72.7012 cm^3
• Polarizability: 27.84839 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.97

Product Information

• Purity: 95%