[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite

C15H9NO8 — CID 24840571

IUPAC[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
SMILESO=NOc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C15H9NO8/c17-6-1-2-8(9(19)3-6)14-15(24-16-22)13(21)12-10(20)4-7(18)5-11(12)23-14/h1-5,17-20H
InChIKeyZDFIQEJISGPLRS-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.34
Rot. Bonds3

About [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite

[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite (PubChem CID 24840571) has the molecular formula C15H9NO8 and a molecular weight of 331.24 g/mol. Its IUPAC name is [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite.

Molecular Properties

Compound Name[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
PubChem CID24840571
Molecular FormulaC15H9NO8
Molecular Weight331.24 g/mol
Exact Mass331.03
IUPAC Name[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
SMILESO=NOc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C15H9NO8/c17-6-1-2-8(9(19)3-6)14-15(24-16-22)13(21)12-10(20)4-7(18)5-11(12)23-14/h1-5,17-20H
InChIKeyZDFIQEJISGPLRS-UHFFFAOYSA-N
XLogP2.34
TPSA149.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 91229543
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 139505378
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one
CID 175840956
magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)
CID 11585501
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
CID 89116863
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] butanoate
CID 5482938
5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 152927752

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite?
The IUPAC name of [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite (CID 24840571) is [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite.
What is the SMILES notation for [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite?
The canonical SMILES for [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite is O=NOc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O.
What is the InChIKey of [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite?
The InChIKey is ZDFIQEJISGPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO8/c17-6-1-2-8(9(19)3-6)14-15(24-16-22)13(21)12-10(20)4-7(18)5-11(12)23-14/h1-5,17-20H.
What are the key properties of [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite?
[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite has a molecular weight of 331.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite is sourced from PubChem (CID 24840571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).