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

C14H8Cl6 — CID 122575608

IUPAC2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl6/c15-9-2-1-8(12(17)5-9)7-14(19,20)11-4-3-10(16)6-13(11)18/h1-6H,7H2
InChIKeyJIVHJGAWVSSRIA-UHFFFAOYSA-N
MW388.94 g/mol
LogP7.17
Rot. Bonds3

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

2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene (PubChem CID 122575608) has the molecular formula C14H8Cl6 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
PubChem CID122575608
Molecular FormulaC14H8Cl6
Molecular Weight388.94 g/mol
Exact Mass385.88
IUPAC Name2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl6/c15-9-2-1-8(12(17)5-9)7-14(19,20)11-4-3-10(16)6-13(11)18/h1-6H,7H2
InChIKeyJIVHJGAWVSSRIA-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 57.17
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

2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
CID 87151632
2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
CID 79444471
1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid
CID 66789276
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
(2,4-dichlorophenyl)methylphosphane
CID 134447961
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 70809258
2-(2,4-dichlorophenyl)ethanethial
CID 87622266
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2,4-dichloro-1-(2,2-dimethylheptyl)benzene
CID 134535823
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene (CID 122575608) is 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene is Clc1ccc(CC(Cl)(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene?
The InChIKey is JIVHJGAWVSSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl6/c15-9-2-1-8(12(17)5-9)7-14(19,20)11-4-3-10(16)6-13(11)18/h1-6H,7H2.
What are the key properties of 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene?
2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene has a molecular weight of 388.94 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene is sourced from PubChem (CID 122575608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).