1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene

C15H21Cl — CID 63429933

IUPAC1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)CC2CCCC2)c(C)c1
InChIInChI=1S/C15H21Cl/c1-11-7-8-14(12(2)9-11)15(16)10-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3
InChIKeyQLPNCSDOLXQZEX-UHFFFAOYSA-N
MW236.79 g/mol
LogP5.16
Rot. Bonds3

About 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene

1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene (PubChem CID 63429933) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
PubChem CID63429933
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)CC2CCCC2)c(C)c1
InChIInChI=1S/C15H21Cl/c1-11-7-8-14(12(2)9-11)15(16)10-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3
InChIKeyQLPNCSDOLXQZEX-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene 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-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
CID 103165599
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene (CID 63429933) is 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene is Cc1ccc(C(Cl)CC2CCCC2)c(C)c1.
What is the InChIKey of 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene?
The InChIKey is QLPNCSDOLXQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11-7-8-14(12(2)9-11)15(16)10-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene?
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene has a molecular weight of 236.79 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene is sourced from PubChem (CID 63429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).