1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene

C15H12ClNO2 — CID 76948604

IUPAC1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene
SMILESO=[N+]([O-])C(=Cc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-14-8-4-7-13(9-14)11-15(17(18)19)10-12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyGWDRZVNJSCHSPX-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.20
Rot. Bonds4

About 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene

1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene (PubChem CID 76948604) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene
PubChem CID76948604
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene
SMILESO=[N+]([O-])C(=Cc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-14-8-4-7-13(9-14)11-15(17(18)19)10-12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyGWDRZVNJSCHSPX-UHFFFAOYSA-N
XLogP4.20
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.20
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-(difluoromethyl)-3-[(E)-2-nitro-3-phenylprop-1-enyl]benzene
CID 115528222
2-fluoro-1-methoxy-4-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77055557
4-(3-chlorophenyl)-3-nitrobut-3-en-2-one
CID 54126740
1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77004199
1,4-dimethyl-2-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948475
5-chloro-1-methyl-2-[(Z)-2-nitro-3-phenylprop-1-enyl]imidazole
CID 114239486
1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene
CID 67773637
1-ethyl-2-(2-nitro-3-phenylprop-1-enyl)pyrrole
CID 77133194
1-methyl-5-(2-nitro-3-phenylprop-1-enyl)imidazole
CID 77113060
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The IUPAC name of 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene (CID 76948604) is 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene is O=[N+]([O-])C(=Cc1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The InChIKey is GWDRZVNJSCHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-14-8-4-7-13(9-14)11-15(17(18)19)10-12-5-2-1-3-6-12/h1-9,11H,10H2.
What are the key properties of 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene has a molecular weight of 273.72 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene is sourced from PubChem (CID 76948604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).