1-chloro-2-(1,2-dichloroethyl)benzene

C8H7Cl3 — CID 14832347

IUPAC1-chloro-2-(1,2-dichloroethyl)benzene
SMILESClCC(Cl)c1ccccc1Cl
InChIInChI=1S/C8H7Cl3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8H,5H2
InChIKeyOTXQUTFFXHHHHV-UHFFFAOYSA-N
MW209.50 g/mol
LogP3.86
Rot. Bonds2

About 1-chloro-2-(1,2-dichloroethyl)benzene

1-chloro-2-(1,2-dichloroethyl)benzene (PubChem CID 14832347) has the molecular formula C8H7Cl3 and a molecular weight of 209.50 g/mol. Its IUPAC name is 1-chloro-2-(1,2-dichloroethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1,2-dichloroethyl)benzene
PubChem CID14832347
Molecular FormulaC8H7Cl3
Molecular Weight209.50 g/mol
Exact Mass207.96
IUPAC Name1-chloro-2-(1,2-dichloroethyl)benzene
SMILESClCC(Cl)c1ccccc1Cl
InChIInChI=1S/C8H7Cl3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8H,5H2
InChIKeyOTXQUTFFXHHHHV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-2-(1,2-dichloroethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
1-chloro-3-(1,2-dichloroethyl)-2-(1,2,2-trichloroethyl)benzene
CID 87433529
2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
CID 56690078
2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
CID 90158504
CID 88515182
CID 88515182
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
CID 18427160
[chloro-(2-chlorophenyl)methyl]hydrazine
CID 70089531
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
1,1,2-trichloro-2-(2-chlorophenyl)ethanol
CID 22614151
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1,2-dichloroethyl)benzene?
The IUPAC name of 1-chloro-2-(1,2-dichloroethyl)benzene (CID 14832347) is 1-chloro-2-(1,2-dichloroethyl)benzene.
What is the SMILES notation for 1-chloro-2-(1,2-dichloroethyl)benzene?
The canonical SMILES for 1-chloro-2-(1,2-dichloroethyl)benzene is ClCC(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1,2-dichloroethyl)benzene?
The InChIKey is OTXQUTFFXHHHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8H,5H2.
What are the key properties of 1-chloro-2-(1,2-dichloroethyl)benzene?
1-chloro-2-(1,2-dichloroethyl)benzene has a molecular weight of 209.50 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1,2-dichloroethyl)benzene is sourced from PubChem (CID 14832347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).