Quercetin

C₁₅H₁₀O₇ — CID 5280343

About Quercetin

Quercetin (PubChem CID 5280343) has the molecular formula C₁₅H₁₀O₇ and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one.

Molecular Properties

• Compound Name: Quercetin
• PubChem CID: 5280343
• Molecular Formula: C₁₅H₁₀O₇
• Molecular Weight: 302.24 g/mol
• Exact Mass: 302.04
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
• SMILES: O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
• InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
• InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 131.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.24
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Quercetin?

The IUPAC name of Quercetin (CID 5280343) is 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one.

What is the SMILES notation for Quercetin?

The canonical SMILES for Quercetin is O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.

What is the InChIKey of Quercetin?

The InChIKey is REFJWTPEDVJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H.

What are the key properties of Quercetin?

Quercetin has a molecular weight of 302.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Quercetin is sourced from PubChem (CID 5280343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5280343 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3514 — approved-drug record (CC BY-SA 4.0)

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