4-Cyclohexylphenol

C₁₂H₁₆O — CID 14327

About 4-Cyclohexylphenol

4-Cyclohexylphenol (PubChem CID 14327) has the molecular formula C₁₂H₁₆O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-cyclohexylphenol.

Molecular Properties

• Compound Name: 4-Cyclohexylphenol
• PubChem CID: 14327
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.26 g/mol
• Exact Mass: 176.12
• IUPAC Name: 4-cyclohexylphenol
• SMILES: Oc1ccc(C2CCCCC2)cc1
• InChI: InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
• InChIKey: OAHMVZYHIJQTQC-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	176.26
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-Cyclohexylphenol?

The IUPAC name of 4-Cyclohexylphenol (CID 14327) is 4-cyclohexylphenol.

What is the SMILES notation for 4-Cyclohexylphenol?

The canonical SMILES for 4-Cyclohexylphenol is Oc1ccc(C2CCCCC2)cc1.

What is the InChIKey of 4-Cyclohexylphenol?

The InChIKey is OAHMVZYHIJQTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2.

What are the key properties of 4-Cyclohexylphenol?

4-Cyclohexylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Cyclohexylphenol is sourced from PubChem (CID 14327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14327 — identifiers, structure, computed properties (public domain)

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