4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene

C12H17Cl — CID 20782922

IUPAC4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
SMILESCc1ccc(Cl)cc1CC(C)(C)C
InChIInChI=1S/C12H17Cl/c1-9-5-6-11(13)7-10(9)8-12(2,3)4/h5-7H,8H2,1-4H3
InChIKeyZRJJDUJSGNLRCF-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.24
Rot. Bonds1

About 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene

4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene (PubChem CID 20782922) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
PubChem CID20782922
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
SMILESCc1ccc(Cl)cc1CC(C)(C)C
InChIInChI=1S/C12H17Cl/c1-9-5-6-11(13)7-10(9)8-12(2,3)4/h5-7H,8H2,1-4H3
InChIKeyZRJJDUJSGNLRCF-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene 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

2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
4-chloro-1-methyl-2-(nitrosomethyl)benzene
CID 142051327
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
CID 82054638
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65316614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene?
The IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene (CID 20782922) is 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene?
The canonical SMILES for 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene is Cc1ccc(Cl)cc1CC(C)(C)C.
What is the InChIKey of 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene?
The InChIKey is ZRJJDUJSGNLRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-9-5-6-11(13)7-10(9)8-12(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene?
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene has a molecular weight of 196.72 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene is sourced from PubChem (CID 20782922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).