1-chloro-4-(2-chloro-2-methylpropyl)benzene

C10H12Cl2 — CID 82026569

IUPAC1-chloro-4-(2-chloro-2-methylpropyl)benzene
SMILESCC(C)(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyYGFKQKWCPGGFFL-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.90
Rot. Bonds2

About 1-chloro-4-(2-chloro-2-methylpropyl)benzene

1-chloro-4-(2-chloro-2-methylpropyl)benzene (PubChem CID 82026569) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 1-chloro-4-(2-chloro-2-methylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-chloro-2-methylpropyl)benzene
PubChem CID82026569
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name1-chloro-4-(2-chloro-2-methylpropyl)benzene
SMILESCC(C)(Cl)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyYGFKQKWCPGGFFL-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-4-(2-chloro-2-methylpropyl)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-4-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036089
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
1-chloro-4-[2-(chloromethyl)-2,3-dimethylbutyl]benzene
CID 83151864
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 105468174
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
CID 84752651
2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
CID 169436210
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-chloro-2-methylpropyl)benzene?
The IUPAC name of 1-chloro-4-(2-chloro-2-methylpropyl)benzene (CID 82026569) is 1-chloro-4-(2-chloro-2-methylpropyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-chloro-2-methylpropyl)benzene?
The canonical SMILES for 1-chloro-4-(2-chloro-2-methylpropyl)benzene is CC(C)(Cl)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-chloro-2-methylpropyl)benzene?
The InChIKey is YGFKQKWCPGGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-chloro-4-(2-chloro-2-methylpropyl)benzene?
1-chloro-4-(2-chloro-2-methylpropyl)benzene has a molecular weight of 203.11 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-chloro-2-methylpropyl)benzene is sourced from PubChem (CID 82026569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).