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

C15H9NO4 — CID 622510

IUPAC2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12
InChIInChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
InChIKeyCKSVYVHLZNMXLX-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.37
Rot. Bonds2

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

2-(4-nitrophenyl)chromen-4-one (PubChem CID 622510) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(4-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-nitrophenyl)chromen-4-one
PubChem CID622510
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name2-(4-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12
InChIInChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
InChIKeyCKSVYVHLZNMXLX-UHFFFAOYSA-N
XLogP3.37
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(4-nitrophenyl)chromen-4-one?
The IUPAC name of 2-(4-nitrophenyl)chromen-4-one (CID 622510) is 2-(4-nitrophenyl)chromen-4-one.
What is the SMILES notation for 2-(4-nitrophenyl)chromen-4-one?
The canonical SMILES for 2-(4-nitrophenyl)chromen-4-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12.
What is the InChIKey of 2-(4-nitrophenyl)chromen-4-one?
The InChIKey is CKSVYVHLZNMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H.
What are the key properties of 2-(4-nitrophenyl)chromen-4-one?
2-(4-nitrophenyl)chromen-4-one has a molecular weight of 267.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)chromen-4-one is sourced from PubChem (CID 622510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).