2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C14H9Cl2NO2 — CID 6024519

IUPAC2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-12-6-5-11(14(16)9-12)4-1-10-2-7-13(8-3-10)17(18)19/h1-9H/b4-1+
InChIKeyCLFNKAQMLVZXMU-DAFODLJHSA-N
MW294.14 g/mol
LogP5.07
Rot. Bonds3

About 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene

2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 6024519) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID6024519
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-12-6-5-11(14(16)9-12)4-1-10-2-7-13(8-3-10)17(18)19/h1-9H/b4-1+
InChIKeyCLFNKAQMLVZXMU-DAFODLJHSA-N
XLogP5.07
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.14
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-nitrobenzoic acid
CID 134086634
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
2,4-bis[2-(2,4-dichlorophenyl)ethenyl]-1,3,5-trinitrobenzene
CID 141365640
4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 6050850
3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 6238098
N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
CID 633064
2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1,3-benzothiazole
CID 7515538
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 73186903
[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
CID 6025983
CID 70381437
CID 70381437
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 6024519) is 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is CLFNKAQMLVZXMU-DAFODLJHSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-12-6-5-11(14(16)9-12)4-1-10-2-7-13(8-3-10)17(18)19/h1-9H/b4-1+.
What are the key properties of 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 294.14 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 6024519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).