5-hydroxy-2-(4-nitrophenyl)chromen-4-one

C15H9NO5 — CID 11098040

IUPAC5-hydroxy-2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc(O)c12
InChIInChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,17H
InChIKeyOWWHGWVFDHUHCE-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.07
Rot. Bonds2

About 5-hydroxy-2-(4-nitrophenyl)chromen-4-one

5-hydroxy-2-(4-nitrophenyl)chromen-4-one (PubChem CID 11098040) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-hydroxy-2-(4-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-nitrophenyl)chromen-4-one
PubChem CID11098040
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name5-hydroxy-2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc(O)c12
InChIInChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,17H
InChIKeyOWWHGWVFDHUHCE-UHFFFAOYSA-N
XLogP3.07
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-2-(4-nitrophenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-nitrophenyl)chromen-4-one (CID 11098040) is 5-hydroxy-2-(4-nitrophenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-nitrophenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-nitrophenyl)chromen-4-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc(O)c12.
What is the InChIKey of 5-hydroxy-2-(4-nitrophenyl)chromen-4-one?
The InChIKey is OWWHGWVFDHUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-11-2-1-3-13-15(11)12(18)8-14(21-13)9-4-6-10(7-5-9)16(19)20/h1-8,17H.
What are the key properties of 5-hydroxy-2-(4-nitrophenyl)chromen-4-one?
5-hydroxy-2-(4-nitrophenyl)chromen-4-one has a molecular weight of 283.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-nitrophenyl)chromen-4-one is sourced from PubChem (CID 11098040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).