7-hydroxy-3-(4-nitrophenyl)chromen-4-one

C15H9NO5 — CID 7454026

IUPAC7-hydroxy-3-(4-nitrophenyl)chromen-4-one
SMILESO=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
InChIKeyCEESSYSSRMOMDE-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.07
Rot. Bonds2

About 7-hydroxy-3-(4-nitrophenyl)chromen-4-one

7-hydroxy-3-(4-nitrophenyl)chromen-4-one (PubChem CID 7454026) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 7-hydroxy-3-(4-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-nitrophenyl)chromen-4-one
PubChem CID7454026
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name7-hydroxy-3-(4-nitrophenyl)chromen-4-one
SMILESO=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
InChIKeyCEESSYSSRMOMDE-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 7-hydroxy-3-(4-nitrophenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-nitrophenyl)chromen-4-one (CID 7454026) is 7-hydroxy-3-(4-nitrophenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-nitrophenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-nitrophenyl)chromen-4-one is O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(4-nitrophenyl)chromen-4-one?
The InChIKey is CEESSYSSRMOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H.
What are the key properties of 7-hydroxy-3-(4-nitrophenyl)chromen-4-one?
7-hydroxy-3-(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 7-hydroxy-3-(4-nitrophenyl)chromen-4-one is sourced from PubChem (CID 7454026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).