Ibufenac

C₁₂H₁₆O₂ — CID 15250

About Ibufenac

Ibufenac (PubChem CID 15250) has the molecular formula C₁₂H₁₆O₂ and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]acetic acid.

Molecular Properties

• Compound Name: Ibufenac
• PubChem CID: 15250
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26 g/mol
• Exact Mass: 192.12
• IUPAC Name: 2-[4-(2-methylpropyl)phenyl]acetic acid
• SMILES: CC(C)Cc1ccc(CC(=O)O)cc1
• InChI: InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
• InChIKey: CYWFCPPBTWOZSF-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.26
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Ibufenac?

The IUPAC name of Ibufenac (CID 15250) is 2-[4-(2-methylpropyl)phenyl]acetic acid.

What is the SMILES notation for Ibufenac?

The canonical SMILES for Ibufenac is CC(C)Cc1ccc(CC(=O)O)cc1.

What is the InChIKey of Ibufenac?

The InChIKey is CYWFCPPBTWOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14).

What are the key properties of Ibufenac?

Ibufenac has a molecular weight of 192.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ibufenac is sourced from PubChem (CID 15250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15250 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3293 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.