Gemfibrozil

C₁₅H₂₂O₃ — CID 3463

About Gemfibrozil

Gemfibrozil (PubChem CID 3463) has the molecular formula C₁₅H₂₂O₃ and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.

Molecular Properties

• Compound Name: Gemfibrozil
• PubChem CID: 3463
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34 g/mol
• Exact Mass: 250.16
• IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
• SMILES: Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
• InChI: InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
• InChIKey: HEMJJKBWTPKOJG-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.34
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Gemfibrozil?

The IUPAC name of Gemfibrozil (CID 3463) is 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid.

What is the SMILES notation for Gemfibrozil?

The canonical SMILES for Gemfibrozil is Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1.

What is the InChIKey of Gemfibrozil?

The InChIKey is HEMJJKBWTPKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17).

What are the key properties of Gemfibrozil?

Gemfibrozil has a molecular weight of 250.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Gemfibrozil is sourced from PubChem (CID 3463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3463 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1285 — approved-drug record (CC BY-SA 4.0)

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