2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one

C15H9NO6 — CID 137100206

IUPAC2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
SMILESO=Nc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C15H9NO6/c17-10-4-1-7(5-11(10)18)15-14(20)13(19)9-3-2-8(16-21)6-12(9)22-15/h1-6,17-18,20H
InChIKeyZOBDVLOLTDUAHZ-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.97
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one

2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one (PubChem CID 137100206) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
PubChem CID137100206
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
SMILESO=Nc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C15H9NO6/c17-10-4-1-7(5-11(10)18)15-14(20)13(19)9-3-2-8(16-21)6-12(9)22-15/h1-6,17-18,20H
InChIKeyZOBDVLOLTDUAHZ-UHFFFAOYSA-N
XLogP2.97
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
2-(3,4-dihydroxyphenyl)-6,8-difluoro-3-hydroxychromen-4-one
CID 18345210
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-propylchromen-4-one
CID 66521692
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one (CID 137100206) is 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one is O=Nc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one?
The InChIKey is ZOBDVLOLTDUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO6/c17-10-4-1-7(5-11(10)18)15-14(20)13(19)9-3-2-8(16-21)6-12(9)22-15/h1-6,17-18,20H.
What are the key properties of 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one?
2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one has a molecular weight of 299.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one is sourced from PubChem (CID 137100206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).