Ketoprofen

C₁₆H₁₄O₃ — CID 3825

About Ketoprofen

Ketoprofen (PubChem CID 3825) has the molecular formula C₁₆H₁₄O₃ and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)propanoic acid.

Molecular Properties

• Compound Name: Ketoprofen
• PubChem CID: 3825
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.29 g/mol
• Exact Mass: 254.09
• IUPAC Name: 2-(3-benzoylphenyl)propanoic acid
• SMILES: CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
• InChI: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
• InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 54.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.29
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ketoprofen?

The IUPAC name of Ketoprofen (CID 3825) is 2-(3-benzoylphenyl)propanoic acid.

What is the SMILES notation for Ketoprofen?

The canonical SMILES for Ketoprofen is CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.

What is the InChIKey of Ketoprofen?

The InChIKey is DKYWVDODHFEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19).

What are the key properties of Ketoprofen?

Ketoprofen has a molecular weight of 254.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ketoprofen is sourced from PubChem (CID 3825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3825 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1528 — approved-drug record (CC BY-SA 4.0)

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