Diosmetin

C₁₆H₁₂O₆ — CID 5281612

About Diosmetin

Diosmetin (PubChem CID 5281612) has the molecular formula C₁₆H₁₂O₆ and a molecular weight of 300.27 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

Molecular Properties

• Compound Name: Diosmetin
• PubChem CID: 5281612
• Molecular Formula: C₁₆H₁₂O₆
• Molecular Weight: 300.27 g/mol
• Exact Mass: 300.06
• IUPAC Name: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
• SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
• InChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
• InChIKey: MBNGWHIJMBWFHU-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 100.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.27
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Diosmetin?

The IUPAC name of Diosmetin (CID 5281612) is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

What is the SMILES notation for Diosmetin?

The canonical SMILES for Diosmetin is COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.

What is the InChIKey of Diosmetin?

The InChIKey is MBNGWHIJMBWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3.

What are the key properties of Diosmetin?

Diosmetin has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Diosmetin is sourced from PubChem (CID 5281612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5281612 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4601 — approved-drug record (CC BY-SA 4.0)

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