6-methoxy-2-(2-nitrophenyl)chromen-4-one

C16H11NO5 — CID 742549

IUPAC6-methoxy-2-(2-nitrophenyl)chromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1
InChIInChI=1S/C16H11NO5/c1-21-10-6-7-15-12(8-10)14(18)9-16(22-15)11-4-2-3-5-13(11)17(19)20/h2-9H,1H3
InChIKeyDUAIXDFVGWGRCM-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.38
Rot. Bonds3

About 6-methoxy-2-(2-nitrophenyl)chromen-4-one

6-methoxy-2-(2-nitrophenyl)chromen-4-one (PubChem CID 742549) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-methoxy-2-(2-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(2-nitrophenyl)chromen-4-one
PubChem CID742549
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name6-methoxy-2-(2-nitrophenyl)chromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1
InChIInChI=1S/C16H11NO5/c1-21-10-6-7-15-12(8-10)14(18)9-16(22-15)11-4-2-3-5-13(11)17(19)20/h2-9H,1H3
InChIKeyDUAIXDFVGWGRCM-UHFFFAOYSA-N
XLogP3.38
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
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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Related Compounds

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CID 4713
2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
2-(3-Nitrophenyl)-4h-chromen-4-one
CID 252248
6-Nitro-2-phenylchromen-4-one
CID 15731470
6-Fluoro-2-(3-nitrophenyl)chromen-4-one
CID 21239768
6-Bromo-2-(2-nitrophenyl)chromen-4-one
CID 44298955
(2Z)-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
CID 642385
6-Methyl-2-(3-nitrophenyl)chromen-4-one
CID 733212
6-methyl-2-(2-nitrophenyl)-4H-chromen-4-one
CID 10779180
2-((4-Nitrobenzyl)oxy)benzaldehyde
CID 720715
3'-Methoxy-4'-nitroflavone
CID 10017512

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-nitrophenyl)chromen-4-one?
The IUPAC name of 6-methoxy-2-(2-nitrophenyl)chromen-4-one (CID 742549) is 6-methoxy-2-(2-nitrophenyl)chromen-4-one.
What is the SMILES notation for 6-methoxy-2-(2-nitrophenyl)chromen-4-one?
The canonical SMILES for 6-methoxy-2-(2-nitrophenyl)chromen-4-one is COc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1.
What is the InChIKey of 6-methoxy-2-(2-nitrophenyl)chromen-4-one?
The InChIKey is DUAIXDFVGWGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-21-10-6-7-15-12(8-10)14(18)9-16(22-15)11-4-2-3-5-13(11)17(19)20/h2-9H,1H3.
What are the key properties of 6-methoxy-2-(2-nitrophenyl)chromen-4-one?
6-methoxy-2-(2-nitrophenyl)chromen-4-one has a molecular weight of 297.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-nitrophenyl)chromen-4-one is sourced from PubChem (CID 742549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).