Drometrizole

C₁₃H₁₁N₃O — CID 17113

About Drometrizole

Drometrizole (PubChem CID 17113) has the molecular formula C₁₃H₁₁N₃O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methylphenol.

Molecular Properties

• Compound Name: Drometrizole
• PubChem CID: 17113
• Molecular Formula: C₁₃H₁₁N₃O
• Molecular Weight: 225.25 g/mol
• Exact Mass: 225.09
• IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol
• SMILES: Cc1ccc(O)c(-n2nc3ccccc3n2)c1
• InChI: InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
• InChIKey: MCPKSFINULVDNX-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.25
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Drometrizole?

The IUPAC name of Drometrizole (CID 17113) is 2-(benzotriazol-2-yl)-4-methylphenol.

What is the SMILES notation for Drometrizole?

The canonical SMILES for Drometrizole is Cc1ccc(O)c(-n2nc3ccccc3n2)c1.

What is the InChIKey of Drometrizole?

The InChIKey is MCPKSFINULVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3.

What are the key properties of Drometrizole?

Drometrizole has a molecular weight of 225.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Drometrizole is sourced from PubChem (CID 17113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17113 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3166 — approved-drug record (CC BY-SA 4.0)

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