1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene

C15H13Cl2NO2 — CID 8332

IUPAC1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene
SMILESCC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]
InChIInChI=1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3
InChIKeyJCWVUDIGEJLVPS-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.79
Rot. Bonds4

About 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene

1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene (PubChem CID 8332) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene
PubChem CID8332
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene
SMILESCC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]
InChIInChI=1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3
InChIKeyJCWVUDIGEJLVPS-UHFFFAOYSA-N
XLogP4.79
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.79
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

Bulan
CID 8331
Dilan
CID 24694
1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
CID 53317554
2,4-dichloro-1-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
CID 53320127
(2-Nitro-1-phenylpropyl)benzene
CID 3349642
1-Chloro-4-[1-(4-chlorophenyl)-2-nitro-vinyl]benzene
CID 363695
3-Amino-2-(4-chlorophenyl)nitropropane
CID 44148575
Nitrochlorphentermine
CID 166577
1-Chloro-4-(2-nitro-1-nitrosoethyl)benzene
CID 12404873
Benzene, 1-chloro-4-(2-nitropropyl)-
CID 11344665
1-Chloro-4-(1-nitropropan-2-yl)benzene
CID 11367644
1-(4-Chlorophenyl)-2-nitroethane
CID 11469495

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene (CID 8332) is 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene is CC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-].
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene?
The InChIKey is JCWVUDIGEJLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene?
1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene has a molecular weight of 310.18 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene is sourced from PubChem (CID 8332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).