Salsalate

C₁₄H₁₀O₅ — CID 5161

About Salsalate

Salsalate (PubChem CID 5161) has the molecular formula C₁₄H₁₀O₅ and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)oxybenzoic acid.

Molecular Properties

• Compound Name: Salsalate
• PubChem CID: 5161
• Molecular Formula: C₁₄H₁₀O₅
• Molecular Weight: 258.23 g/mol
• Exact Mass: 258.05
• IUPAC Name: 2-(2-hydroxybenzoyl)oxybenzoic acid
• SMILES: O=C(Oc1ccccc1C(=O)O)c1ccccc1O
• InChI: InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
• InChIKey: WVYADZUPLLSGPU-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 83.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.23
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Salsalate?

The IUPAC name of Salsalate (CID 5161) is 2-(2-hydroxybenzoyl)oxybenzoic acid.

What is the SMILES notation for Salsalate?

The canonical SMILES for Salsalate is O=C(Oc1ccccc1C(=O)O)c1ccccc1O.

What is the InChIKey of Salsalate?

The InChIKey is WVYADZUPLLSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17).

What are the key properties of Salsalate?

Salsalate has a molecular weight of 258.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Salsalate is sourced from PubChem (CID 5161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5161 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2420 — approved-drug record (CC BY-SA 4.0)

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