2,6-dicyclohexylphenol

• ChemBase ID: 167188
• Molecular Formular: C18H26O
• Molecular Mass: 258.39844
• Monoisotopic Mass: 258.19836545
• SMILES: c1c(c(c(cc1)C1CCCCC1)O)C1CCCCC1
• Canonical SMILES: Oc1c(cccc1C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15,19H,1-6,8-11H2
• InChIKey: AUEZNTKYSSUTGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dicyclohexylphenol
• IUPAC Traditional name: 2,6-dicyclohexylphenol
• Synonyms: 2,6-Dicyclohexylphenol

Database IDs

• CAS Number: 4821-19-6
• MDL Number: MFCD00270756
• PubChem SID: 162261321
• PubChem CID: 78540

CALCULATED PROPERTIES

• Acid pKa: 10.924088
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.8996572
• LogD (pH = 7.4): 5.89953
• Log P: 5.899659
• Molar Refractivity: 80.4221 cm^3
• Polarizability: 31.4523 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.315

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - D439310

An analogue of the general anesthetic Propofol (P829750), as antioxidant in isotactic polypropylene.

REFERENCES

• Lloyd, D., et al.: Australian Plastics & Rubber, 24, 36 (1973)
• Holcik, J., et al.: Collect. Czech. Chem. Commun., 43, 2578 (1973)