Acetaminosalol

C₁₅H₁₃NO₄ — CID 1984

About Acetaminosalol

Acetaminosalol (PubChem CID 1984) has the molecular formula C₁₅H₁₃NO₄ and a molecular weight of 271.27 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-hydroxybenzoate.

Molecular Properties

• Compound Name: Acetaminosalol
• PubChem CID: 1984
• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.27 g/mol
• Exact Mass: 271.08
• IUPAC Name: (4-acetamidophenyl) 2-hydroxybenzoate
• SMILES: CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
• InChI: InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
• InChIKey: TWIIVLKQFJBFPW-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.27
LogP ≤ 5	2.57
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 Acetaminosalol?

The IUPAC name of Acetaminosalol (CID 1984) is (4-acetamidophenyl) 2-hydroxybenzoate.

What is the SMILES notation for Acetaminosalol?

The canonical SMILES for Acetaminosalol is CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1.

What is the InChIKey of Acetaminosalol?

The InChIKey is TWIIVLKQFJBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17).

What are the key properties of Acetaminosalol?

Acetaminosalol has a molecular weight of 271.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Acetaminosalol is sourced from PubChem (CID 1984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1984 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 53 — approved-drug record (CC BY-SA 4.0)

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