3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one

C17H11NO4 — CID 16719927

IUPAC3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one
SMILESO=c1c(/C=C\c2ccc([N+](=O)[O-])cc2)coc2ccccc12
InChIInChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5-
InChIKeySOSALDPSJPEFEK-YVMONPNESA-N
MW293.28 g/mol
LogP3.87
Rot. Bonds3

About 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one

3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one (PubChem CID 16719927) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one
PubChem CID16719927
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one
SMILESO=c1c(/C=C\c2ccc([N+](=O)[O-])cc2)coc2ccccc12
InChIInChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5-
InChIKeySOSALDPSJPEFEK-YVMONPNESA-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'}

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Related Compounds

7-methyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 71966385
6-chloro-7-methyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 71966386
N-methyl-1-(4-oxochromen-3-yl)methanimine oxide
CID 1480882
N-(4-methylphenyl)-1-(4-oxochromen-3-yl)methanimine oxide
CID 11044133
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
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3-[(Z)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 54753699
N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
CID 14931408
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
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CID 1085155
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The IUPAC name of 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one (CID 16719927) is 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The canonical SMILES for 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one is O=c1c(/C=C\c2ccc([N+](=O)[O-])cc2)coc2ccccc12.
What is the InChIKey of 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
The InChIKey is SOSALDPSJPEFEK-YVMONPNESA-N. The full InChI is InChI=1S/C17H11NO4/c19-17-13(11-22-16-4-2-1-3-15(16)17)8-5-12-6-9-14(10-7-12)18(20)21/h1-11H/b8-5-.
What are the key properties of 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one?
3-[(Z)-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 3-[(Z)-2-(4-nitrophenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 16719927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).