2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one

C17H11NO4 — CID 6479059

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12
InChIInChI=1S/C17H11NO4/c19-16-11-14(22-17-4-2-1-3-15(16)17)10-7-12-5-8-13(9-6-12)18(20)21/h1-11H/b10-7+
InChIKeyCCDRTIJYUQSKQL-JXMROGBWSA-N
MW293.28 g/mol
LogP3.87
Rot. Bonds3

About 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one

2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one (PubChem CID 6479059) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one
PubChem CID6479059
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12
InChIInChI=1S/C17H11NO4/c19-16-11-14(22-17-4-2-1-3-15(16)17)10-7-12-5-8-13(9-6-12)18(20)21/h1-11H/b10-7+
InChIKeyCCDRTIJYUQSKQL-JXMROGBWSA-N
XLogP3.87
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.87
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'}

Analyze 2-[(E)-2-(4-nitrophenyl)ethenyl]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

6-Bromo-3'-nitroflavone
CID 3714237
2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
1-[4-(4-Nitrophenoxy)phenyl]ethanone
CID 238604
4-(4-Nitrobenzyloxy)benzaldehyde
CID 735836
4-Nitro-benzoic acid phenyl ester
CID 95884
4-Methoxy-4'-nitrobenzophenone
CID 347772
2,5-Bis-(4-nitro-phenyl)-furan
CID 2818433
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
2-(3-Nitrophenyl)-4h-chromen-4-one
CID 252248
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Chloro-2-(3-nitro-phenyl)-chromen-4-one
CID 5011228
2-(3-Bromophenyl)-6-nitrochromen-4-one
CID 9841153

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one (CID 6479059) is 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one is O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The InChIKey is CCDRTIJYUQSKQL-JXMROGBWSA-N. The full InChI is InChI=1S/C17H11NO4/c19-16-11-14(22-17-4-2-1-3-15(16)17)10-7-12-5-8-13(9-6-12)18(20)21/h1-11H/b10-7+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one has a molecular weight of 293.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 6479059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).