4-(benzyloxy)cyclohexan-1-ol

• ChemBase ID: 161794
• Molecular Formular: C13H18O2
• Molecular Mass: 206.28082
• Monoisotopic Mass: 206.13067982
• SMILES: C1C(CCC(C1)OCc1ccccc1)O
• Canonical SMILES: OC1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C13H18O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
• InChIKey: GDGBMTDJFHTXID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)cyclohexan-1-ol
• IUPAC Traditional name: 4-(benzyloxy)cyclohexan-1-ol
• Synonyms: 4-(Phenylmethoxy)cyclohexanol; 4-(Benzyloxy)cyclohexanol (cis / trans mixture)

Database IDs

• CAS Number: 2976-80-9
• PubChem SID: 162255929
• PubChem CID: 13181637

CALCULATED PROPERTIES

• Acid pKa: 15.252922
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2615745
• LogD (pH = 7.4): 2.2615745
• Log P: 2.2615745
• Molar Refractivity: 60.3088 cm^3
• Polarizability: 23.799244 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Light Yellow Oil

Safety Information

• Storage Condition: Refrigerator