1-(bromomethyl)-4-cyclohexylbenzene

• ChemBase ID: 238572
• Molecular Formular: C13H17Br
• Molecular Mass: 253.17808
• Monoisotopic Mass: 252.05136254
• SMILES: c1(ccc(cc1)CBr)C1CCCCC1
• Canonical SMILES: BrCc1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C13H17Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
• InChIKey: XVFZFBSJOOIKIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-4-cyclohexylbenzene
• IUPAC Traditional name: 1-(bromomethyl)-4-cyclohexylbenzene
• Synonyms: 1-(bromomethyl)-4-cyclohexylbenzene

Database IDs

• MDL Number: MFCD11111736
• PubChem SID: 164294482
• PubChem CID: 20035472

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8609724
• LogD (pH = 7.4): 4.8609724
• Log P: 4.8609724
• Molar Refractivity: 65.1 cm^3
• Polarizability: 24.987707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.544

Product Information

• Purity: 95%