1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene

C14H10Cl4 — CID 6294

IUPAC1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKeyAHJKRLASYNVKDZ-UHFFFAOYSA-N
MW320.05 g/mol
LogP5.93
Rot. Bonds3

About 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene

1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene (PubChem CID 6294) has the molecular formula C14H10Cl4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
PubChem CID6294
Molecular FormulaC14H10Cl4
Molecular Weight320.05 g/mol
Exact Mass317.95
IUPAC Name1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKeyAHJKRLASYNVKDZ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.05
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene (CID 6294) is 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene is Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The InChIKey is AHJKRLASYNVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H.
What are the key properties of 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene has a molecular weight of 320.05 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 6294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).