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

C15H11NO3 — CID 11368788

IUPAC4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H11NO3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h1-11H/b2-1+
InChIKeyAMHFUIBAMYJKRL-OWOJBTEDSA-N
MW253.26 g/mol
LogP3.58
Rot. Bonds4

About 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde

4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde (PubChem CID 11368788) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde
PubChem CID11368788
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H11NO3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h1-11H/b2-1+
InChIKeyAMHFUIBAMYJKRL-OWOJBTEDSA-N
XLogP3.58
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-Nitrobenzaldehyde
CID 7449
4-Nitrochalcone
CID 5377323
4-Nitrobenzaldehyde
CID 541
2-Nitrobenzaldehyde
CID 11101
p-Nitroacetophenone
CID 7487
Aloe barbadensis extract
CID 5712222
4-Nitrocinnamaldehyde
CID 5354135
2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
CID 5369664
4-Nitrobenzil
CID 283893
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
CID 1812008
4-Fluoro-2-nitrobenzaldehyde
CID 76226
2-Nitrochalcone
CID 5337611

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde (CID 11368788) is 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde is O=Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde?
The InChIKey is AMHFUIBAMYJKRL-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11NO3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h1-11H/b2-1+.
What are the key properties of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde?
4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde has a molecular weight of 253.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 11368788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).