6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one

C16H10N2O6 — CID 10711211

IUPAC6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one
SMILESCc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1[N+](=O)[O-]
InChIInChI=1S/C16H10N2O6/c1-9-5-6-13-15(16(9)18(22)23)12(19)8-14(24-13)10-3-2-4-11(7-10)17(20)21/h2-8H,1H3
InChIKeyFQVQBBCROVBHGL-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.58
Rot. Bonds3

About 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one

6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one (PubChem CID 10711211) has the molecular formula C16H10N2O6 and a molecular weight of 326.26 g/mol. Its IUPAC name is 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one
PubChem CID10711211
Molecular FormulaC16H10N2O6
Molecular Weight326.26 g/mol
Exact Mass326.05
IUPAC Name6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one
SMILESCc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1[N+](=O)[O-]
InChIInChI=1S/C16H10N2O6/c1-9-5-6-13-15(16(9)18(22)23)12(19)8-14(24-13)10-3-2-4-11(7-10)17(20)21/h2-8H,1H3
InChIKeyFQVQBBCROVBHGL-UHFFFAOYSA-N
XLogP3.58
TPSA116.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
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'}

Analyze 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-Methyl-2-(3-nitrophenyl)chromen-4-one
CID 733212
6-methyl-2-(2-nitrophenyl)-4H-chromen-4-one
CID 10779180
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
6-Methyl-2-(4-nitrophenyl)chromen-4-one
CID 5011230
2-[(E)-2-(4-nitrophenyl)vinyl]chromen-4-one
CID 6479059
3'-Nitroflavanone
CID 10084425
2,7-Dinitro-9H-xanthen-9-one
CID 233726

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one?
The IUPAC name of 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one (CID 10711211) is 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one.
What is the SMILES notation for 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one?
The canonical SMILES for 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one is Cc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one?
The InChIKey is FQVQBBCROVBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O6/c1-9-5-6-13-15(16(9)18(22)23)12(19)8-14(24-13)10-3-2-4-11(7-10)17(20)21/h2-8H,1H3.
What are the key properties of 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one?
6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one has a molecular weight of 326.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one is sourced from PubChem (CID 10711211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).