5,7-dihydroxy-8-nitro-2-phenylchromen-4-one

C15H9NO6 — CID 5480908

IUPAC5,7-dihydroxy-8-nitro-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c([N+](=O)[O-])c(O)cc(O)c12
InChIInChI=1S/C15H9NO6/c17-9-6-11(19)14(16(20)21)15-13(9)10(18)7-12(22-15)8-4-2-1-3-5-8/h1-7,17,19H
InChIKeyOKXTXFWJUDLXKG-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.78
Rot. Bonds2

About 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one

5,7-dihydroxy-8-nitro-2-phenylchromen-4-one (PubChem CID 5480908) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-nitro-2-phenylchromen-4-one
PubChem CID5480908
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name5,7-dihydroxy-8-nitro-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c([N+](=O)[O-])c(O)cc(O)c12
InChIInChI=1S/C15H9NO6/c17-9-6-11(19)14(16(20)21)15-13(9)10(18)7-12(22-15)8-4-2-1-3-5-8/h1-7,17,19H
InChIKeyOKXTXFWJUDLXKG-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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Related Compounds

1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One
CID 5326637
5,7-dihydroxy-3-(4-nitrophenyl)-4H-chromen-4-one
CID 12241083
4'-Nitro-5-hydroxyflavone
CID 11098040
1-(2,4-Dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 886419
4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-nitrophenoxy)-
CID 728401
7-Hydroxy-4'-nitroisoflavone
CID 7454026
2-(2-Chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one
CID 5314946
2',4'-Dihydroxy-5'-nitroacetophenone
CID 220739
2,6-Dimethoxy-3-nitrobenzoic acid
CID 3085094
7-Hydroxy-6-nitro-2-phenyl-chromen-4-one
CID 10755384
5-Hydroxy-2-(2-methoxyphenyl)-8-nitro-chromone
CID 16060391
7-hydroxy-2-(4-nitrophenyl)-4H-chromen-4-one
CID 14791391

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one (CID 5480908) is 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c([N+](=O)[O-])c(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one?
The InChIKey is OKXTXFWJUDLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO6/c17-9-6-11(19)14(16(20)21)15-13(9)10(18)7-12(22-15)8-4-2-1-3-5-8/h1-7,17,19H.
What are the key properties of 5,7-dihydroxy-8-nitro-2-phenylchromen-4-one?
5,7-dihydroxy-8-nitro-2-phenylchromen-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-8-nitro-2-phenylchromen-4-one is sourced from PubChem (CID 5480908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).