4-(cyclohexyloxy)phenol

• ChemBase ID: 270594
• Molecular Formular: C12H16O2
• Molecular Mass: 192.25424
• Monoisotopic Mass: 192.11502975
• SMILES: O(c1ccc(cc1)O)C1CCCCC1
• Canonical SMILES: Oc1ccc(cc1)OC1CCCCC1
• InChI: InChI=1S/C12H16O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11,13H,1-5H2
• InChIKey: OTDAKOHTLSGIIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohexyloxy)phenol
• IUPAC Traditional name: 4-(cyclohexyloxy)phenol
• Synonyms: 4-(cyclohexyloxy)phenol

Database IDs

• MDL Number: MFCD11103426
• PubChem SID: 164326504
• PubChem CID: 13587716

CALCULATED PROPERTIES

• Acid pKa: 9.919453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3112633
• LogD (pH = 7.4): 3.3099756
• Log P: 3.3112798
• Molar Refractivity: 55.5163 cm^3
• Polarizability: 21.92783 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 3.605

Product Information

• Purity: 95%