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

C14H10Cl4 — CID 4211

IUPAC1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
InChIInChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChIKeyJWBOIMRXGHLCPP-UHFFFAOYSA-N
MW320.05 g/mol
LogP5.93
Rot. Bonds3

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

1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene (PubChem CID 4211) has the molecular formula C14H10Cl4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
PubChem CID4211
Molecular FormulaC14H10Cl4
Molecular Weight320.05 g/mol
Exact Mass317.95
IUPAC Name1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
InChIInChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChIKeyJWBOIMRXGHLCPP-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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Related Compounds

P,P'-ddd
CID 6294
1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
P,P'-dde
CID 3035
O,P'-Ddt
CID 13089
2-Chlorobiphenyl
CID 249266
2,2',5,5'-Tetrachlorobiphenyl
CID 37248
2,2',5-Trichlorobiphenyl
CID 37803
O,P'-Dde
CID 246598
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorobiphenyl
CID 16323
2,2'-Dichlorobiphenyl
CID 25622

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene (CID 4211) is 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene is Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
The InChIKey is JWBOIMRXGHLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H.
What are the key properties of 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene?
1-chloro-2-[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-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 4211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).