Cyclofenil

C₂₃H₂₄O₄ — CID 2898

About Cyclofenil

Cyclofenil (PubChem CID 2898) has the molecular formula C₂₃H₂₄O₄ and a molecular weight of 364.44 g/mol. Its IUPAC name is [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate.

Molecular Properties

• Compound Name: Cyclofenil
• PubChem CID: 2898
• Molecular Formula: C₂₃H₂₄O₄
• Molecular Weight: 364.44 g/mol
• Exact Mass: 364.17
• IUPAC Name: [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
• InChI: InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
• InChIKey: GVOUFPWUYJWQSK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.44
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cyclofenil?

The IUPAC name of Cyclofenil (CID 2898) is [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate.

What is the SMILES notation for Cyclofenil?

The canonical SMILES for Cyclofenil is CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1.

What is the InChIKey of Cyclofenil?

The InChIKey is GVOUFPWUYJWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3.

What are the key properties of Cyclofenil?

Cyclofenil has a molecular weight of 364.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclofenil is sourced from PubChem (CID 2898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2898 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 753 — approved-drug record (CC BY-SA 4.0)

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