5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one

C15H9NO6 — CID 15956533

IUPAC5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one
SMILESO=c1c(-c2cccc([N+](=O)[O-])c2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-2-1-3-9(4-8)16(20)21/h1-7,17-18H
InChIKeyPOHGGWWIRLYUAI-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.78
Rot. Bonds2

About 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one

5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one (PubChem CID 15956533) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one
PubChem CID15956533
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one
SMILESO=c1c(-c2cccc([N+](=O)[O-])c2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-2-1-3-9(4-8)16(20)21/h1-7,17-18H
InChIKeyPOHGGWWIRLYUAI-UHFFFAOYSA-N
XLogP2.78
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one (CID 15956533) is 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one is O=c1c(-c2cccc([N+](=O)[O-])c2)coc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one?
The InChIKey is POHGGWWIRLYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-2-1-3-9(4-8)16(20)21/h1-7,17-18H.
What are the key properties of 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one?
5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one has a molecular weight of 299.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(3-nitrophenyl)chromen-4-one is sourced from PubChem (CID 15956533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).