2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene

C15H10Cl3NO2 — CID 53320127

IUPAC2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO2/c16-12-4-1-10(2-5-12)7-14(19(20)21)8-11-3-6-13(17)9-15(11)18/h1-7,9H,8H2/b14-7-
InChIKeyFZAAMMCALJZXIN-AUWJEWJLSA-N
MW342.61 g/mol
LogP5.51
Rot. Bonds4

About 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene

2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene (PubChem CID 53320127) has the molecular formula C15H10Cl3NO2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
PubChem CID53320127
Molecular FormulaC15H10Cl3NO2
Molecular Weight342.61 g/mol
Exact Mass340.98
IUPAC Name2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO2/c16-12-4-1-10(2-5-12)7-14(19(20)21)8-11-3-6-13(17)9-15(11)18/h1-7,9H,8H2/b14-7-
InChIKeyFZAAMMCALJZXIN-AUWJEWJLSA-N
XLogP5.51
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 55.51
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'}

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Related Compounds

1-Chloro-4-(2-nitropropenyl)-benzene
CID 708815
1,1'-(2-Nitropropylidene)bis(4-chlorobenzene)
CID 8332
2,4-Dichloro-1-(2-nitrovinyl)benzene
CID 690125
1-Chloro-4-(2-nitro-1-propen-1-yl)benzene
CID 120341
1-(2-Chlorophenyl)-2-nitropropene
CID 5841110
1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
CID 53317554
1-(4-Chlorophenyl)-2-nitropropene
CID 1809354
2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
CID 2063266
1-Chloro-2-(2-nitroprop-1-en-1-yl)benzene
CID 297476
1-Chloro-4-[(1E)-2-nitrobut-1-EN-1-YL]benzene
CID 5354640
2,4-Dichloronitrostyrene
CID 255882
Nitrochlorphentermine
CID 166577

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene (CID 53320127) is 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene is O=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The InChIKey is FZAAMMCALJZXIN-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H10Cl3NO2/c16-12-4-1-10(2-5-12)7-14(19(20)21)8-11-3-6-13(17)9-15(11)18/h1-7,9H,8H2/b14-7-.
What are the key properties of 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene has a molecular weight of 342.61 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene is sourced from PubChem (CID 53320127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).