4-chlorocyclohexan-1-ol

• ChemBase ID: 111739
• Molecular Formular: C6H11ClO
• Molecular Mass: 134.60394
• Monoisotopic Mass: 134.04984265
• SMILES: OC1CCC(Cl)CC1
• Canonical SMILES: OC1CCC(CC1)Cl
• InChI: InChI=1S/C6H11ClO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
• InChIKey: HVPIAXWCSPHTAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorocyclohexan-1-ol
• IUPAC Traditional name: 4-chlorocyclohexan-1-ol
• Synonyms: 4-CHLOROCYCLOHEXANOL

Database IDs

• CAS Number: 30485-71-3
• PubChem SID: 162096631
• PubChem CID: 34609

CALCULATED PROPERTIES

• Acid pKa: 15.257011
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2485667
• LogD (pH = 7.4): 1.2485667
• Log P: 1.2485667
• Molar Refractivity: 33.996 cm^3
• Polarizability: 13.51855 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true