Dexketoprofen

C₁₆H₁₄O₃ — CID 667550

About Dexketoprofen

Dexketoprofen (PubChem CID 667550) has the molecular formula C₁₆H₁₄O₃ and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)propanoic acid.

Molecular Properties

• Compound Name: Dexketoprofen
• PubChem CID: 667550
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.29 g/mol
• Exact Mass: 254.09
• IUPAC Name: (2S)-2-(3-benzoylphenyl)propanoic acid
• SMILES: C[C@H](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)/t11-/m0/s1
• InChIKey: DKYWVDODHFEZIM-NSHDSACASA-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 Dexketoprofen?

The IUPAC name of Dexketoprofen (CID 667550) is (2S)-2-(3-benzoylphenyl)propanoic acid.

What is the SMILES notation for Dexketoprofen?

The canonical SMILES for Dexketoprofen is C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1.

What is the InChIKey of Dexketoprofen?

The InChIKey is DKYWVDODHFEZIM-NSHDSACASA-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)/t11-/m0/s1.

What are the key properties of Dexketoprofen?

Dexketoprofen 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 Dexketoprofen is sourced from PubChem (CID 667550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 667550 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 833 — approved-drug record (CC BY-SA 4.0)

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