Ipriflavone

C₁₈H₁₆O₃ — CID 3747

About Ipriflavone

Ipriflavone (PubChem CID 3747) has the molecular formula C₁₈H₁₆O₃ and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-phenyl-7-propan-2-yloxychromen-4-one.

Molecular Properties

• Compound Name: Ipriflavone
• PubChem CID: 3747
• Molecular Formula: C₁₈H₁₆O₃
• Molecular Weight: 280.32 g/mol
• Exact Mass: 280.11
• IUPAC Name: 3-phenyl-7-propan-2-yloxychromen-4-one
• SMILES: CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
• InChI: InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
• InChIKey: SFBODOKJTYAUCM-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 39.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.32
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ipriflavone?

The IUPAC name of Ipriflavone (CID 3747) is 3-phenyl-7-propan-2-yloxychromen-4-one.

What is the SMILES notation for Ipriflavone?

The canonical SMILES for Ipriflavone is CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1.

What is the InChIKey of Ipriflavone?

The InChIKey is SFBODOKJTYAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3.

What are the key properties of Ipriflavone?

Ipriflavone has a molecular weight of 280.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ipriflavone is sourced from PubChem (CID 3747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3747 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1477 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.