4-(4-methylidenecyclohexyl)phenol

C₁₃H₁₆O — CID 58902727

About 4-(4-methylidenecyclohexyl)phenol

4-(4-methylidenecyclohexyl)phenol (PubChem CID 58902727) has the molecular formula C₁₃H₁₆O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(4-methylidenecyclohexyl)phenol.

Molecular Properties

• Compound Name: 4-(4-methylidenecyclohexyl)phenol
• PubChem CID: 58902727
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27 g/mol
• Exact Mass: 188.12
• IUPAC Name: 4-(4-methylidenecyclohexyl)phenol
• SMILES: C=C1CCC(c2ccc(O)cc2)CC1
• InChI: InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2
• InChIKey: YGKNWJASJUQVMN-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.27
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylidenecyclohexyl)phenol?

The IUPAC name of 4-(4-methylidenecyclohexyl)phenol (CID 58902727) is 4-(4-methylidenecyclohexyl)phenol.

What is the SMILES notation for 4-(4-methylidenecyclohexyl)phenol?

The canonical SMILES for 4-(4-methylidenecyclohexyl)phenol is C=C1CCC(c2ccc(O)cc2)CC1.

What is the InChIKey of 4-(4-methylidenecyclohexyl)phenol?

The InChIKey is YGKNWJASJUQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-9,11,14H,1-5H2.

What are the key properties of 4-(4-methylidenecyclohexyl)phenol?

4-(4-methylidenecyclohexyl)phenol has a molecular weight of 188.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methylidenecyclohexyl)phenol is sourced from PubChem (CID 58902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58902727 — identifiers, structure, computed properties (public domain)

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