Loxoprofen

C₁₅H₁₈O₃ — CID 3965

About Loxoprofen

Loxoprofen (PubChem CID 3965) has the molecular formula C₁₅H₁₈O₃ and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: Loxoprofen
• PubChem CID: 3965
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31 g/mol
• Exact Mass: 246.13
• IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
• SMILES: CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1
• InChI: InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
• InChIKey: YMBXTVYHTMGZDW-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 54.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.31
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Loxoprofen?

The IUPAC name of Loxoprofen (CID 3965) is 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid.

What is the SMILES notation for Loxoprofen?

The canonical SMILES for Loxoprofen is CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.

What is the InChIKey of Loxoprofen?

The InChIKey is YMBXTVYHTMGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18).

What are the key properties of Loxoprofen?

Loxoprofen has a molecular weight of 246.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Loxoprofen is sourced from PubChem (CID 3965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3965 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1615 — approved-drug record (CC BY-SA 4.0)

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