Efloxate

C₁₉H₁₆O₅ — CID 8395

About Efloxate

Efloxate (PubChem CID 8395) has the molecular formula C₁₉H₁₆O₅ and a molecular weight of 324.33 g/mol. Its IUPAC name is ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate.

Molecular Properties

• Compound Name: Efloxate
• PubChem CID: 8395
• Molecular Formula: C₁₉H₁₆O₅
• Molecular Weight: 324.33 g/mol
• Exact Mass: 324.10
• IUPAC Name: ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
• SMILES: CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
• InChI: InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
• InChIKey: ZVXBAHLOGZCFTP-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 65.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.33
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Efloxate?

The IUPAC name of Efloxate (CID 8395) is ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate.

What is the SMILES notation for Efloxate?

The canonical SMILES for Efloxate is CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1.

What is the InChIKey of Efloxate?

The InChIKey is ZVXBAHLOGZCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.

What are the key properties of Efloxate?

Efloxate has a molecular weight of 324.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Efloxate is sourced from PubChem (CID 8395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8395 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 991 — approved-drug record (CC BY-SA 4.0)

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