6,8-dimethoxy-7-nitrochromen-2-one

C11H9NO6 — CID 134989897

IUPAC6,8-dimethoxy-7-nitrochromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO6/c1-16-7-5-6-3-4-8(13)18-10(6)11(17-2)9(7)12(14)15/h3-5H,1-2H3
InChIKeyNQGPUIUMSPXGGZ-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.72
Rot. Bonds3

About 6,8-dimethoxy-7-nitrochromen-2-one

6,8-dimethoxy-7-nitrochromen-2-one (PubChem CID 134989897) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is 6,8-dimethoxy-7-nitrochromen-2-one.

Molecular Properties

Compound Name6,8-dimethoxy-7-nitrochromen-2-one
PubChem CID134989897
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name6,8-dimethoxy-7-nitrochromen-2-one
SMILESCOc1cc2ccc(=O)oc2c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO6/c1-16-7-5-6-3-4-8(13)18-10(6)11(17-2)9(7)12(14)15/h3-5H,1-2H3
InChIKeyNQGPUIUMSPXGGZ-UHFFFAOYSA-N
XLogP1.72
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041261
7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041260
7-methoxy-6-nitrochromen-2-one
CID 10656586
6-methoxythieno[2,3-h]chromen-2-one
CID 14235198
6-methyl-8-nitrochromen-2-one
CID 176726542
6,7-dimethoxychromen-2-one
CID 159563577
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
CID 59891635
7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
6,8-dimethoxy-7-[(3E,7E)-2-methylnona-3,7-dien-2-yl]oxychromen-2-one
CID 170982258
9-methoxyfuro[3,2-g]chromene-3,7-dione
CID 141257302
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-7-nitrochromen-2-one?
The IUPAC name of 6,8-dimethoxy-7-nitrochromen-2-one (CID 134989897) is 6,8-dimethoxy-7-nitrochromen-2-one.
What is the SMILES notation for 6,8-dimethoxy-7-nitrochromen-2-one?
The canonical SMILES for 6,8-dimethoxy-7-nitrochromen-2-one is COc1cc2ccc(=O)oc2c(OC)c1[N+](=O)[O-].
What is the InChIKey of 6,8-dimethoxy-7-nitrochromen-2-one?
The InChIKey is NQGPUIUMSPXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c1-16-7-5-6-3-4-8(13)18-10(6)11(17-2)9(7)12(14)15/h3-5H,1-2H3.
What are the key properties of 6,8-dimethoxy-7-nitrochromen-2-one?
6,8-dimethoxy-7-nitrochromen-2-one has a molecular weight of 251.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-7-nitrochromen-2-one is sourced from PubChem (CID 134989897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).