8-nitro-2-(4-nitrophenyl)chromen-4-one

C15H8N2O6 — CID 10041189

IUPAC8-nitro-2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H8N2O6/c18-13-8-14(9-4-6-10(7-5-9)16(19)20)23-15-11(13)2-1-3-12(15)17(21)22/h1-8H
InChIKeyYQEVGXPSOFPGJF-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.28
Rot. Bonds3

About 8-nitro-2-(4-nitrophenyl)chromen-4-one

8-nitro-2-(4-nitrophenyl)chromen-4-one (PubChem CID 10041189) has the molecular formula C15H8N2O6 and a molecular weight of 312.24 g/mol. Its IUPAC name is 8-nitro-2-(4-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name8-nitro-2-(4-nitrophenyl)chromen-4-one
PubChem CID10041189
Molecular FormulaC15H8N2O6
Molecular Weight312.24 g/mol
Exact Mass312.04
IUPAC Name8-nitro-2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H8N2O6/c18-13-8-14(9-4-6-10(7-5-9)16(19)20)23-15-11(13)2-1-3-12(15)17(21)22/h1-8H
InChIKeyYQEVGXPSOFPGJF-UHFFFAOYSA-N
XLogP3.28
TPSA116.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-(4-nitrophenyl)chromen-4-one?
The IUPAC name of 8-nitro-2-(4-nitrophenyl)chromen-4-one (CID 10041189) is 8-nitro-2-(4-nitrophenyl)chromen-4-one.
What is the SMILES notation for 8-nitro-2-(4-nitrophenyl)chromen-4-one?
The canonical SMILES for 8-nitro-2-(4-nitrophenyl)chromen-4-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 8-nitro-2-(4-nitrophenyl)chromen-4-one?
The InChIKey is YQEVGXPSOFPGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O6/c18-13-8-14(9-4-6-10(7-5-9)16(19)20)23-15-11(13)2-1-3-12(15)17(21)22/h1-8H.
What are the key properties of 8-nitro-2-(4-nitrophenyl)chromen-4-one?
8-nitro-2-(4-nitrophenyl)chromen-4-one has a molecular weight of 312.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-(4-nitrophenyl)chromen-4-one is sourced from PubChem (CID 10041189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).