(4-chlorocyclohexyl)benzene

• ChemBase ID: 261721
• Molecular Formular: C12H15Cl
• Molecular Mass: 194.7005
• Monoisotopic Mass: 194.08622816
• SMILES: C1(c2ccccc2)CCC(CC1)Cl
• Canonical SMILES: ClC1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C12H15Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
• InChIKey: XWXBWCBHZSFRGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorocyclohexyl)benzene
• IUPAC Traditional name: (4-chlorocyclohexyl)benzene
• Synonyms: (4-chlorocyclohexyl)benzene

Database IDs

• MDL Number: MFCD11186455
• PubChem SID: 164317631
• PubChem CID: 345909

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0561085
• LogD (pH = 7.4): 4.0561085
• Log P: 4.0561085
• Molar Refractivity: 56.9701 cm^3
• Polarizability: 22.393486 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.595

Product Information

• Purity: 95%