1,2-dichloro-4-(2-cyclopentylethyl)benzene

C13H16Cl2 — CID 67484216

IUPAC1,2-dichloro-4-(2-cyclopentylethyl)benzene
SMILESClc1ccc(CCC2CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2/c14-12-8-7-11(9-13(12)15)6-5-10-3-1-2-4-10/h7-10H,1-6H2
InChIKeyCWQNIBJBRJMQQB-UHFFFAOYSA-N
MW243.18 g/mol
LogP5.12
Rot. Bonds3

About 1,2-dichloro-4-(2-cyclopentylethyl)benzene

1,2-dichloro-4-(2-cyclopentylethyl)benzene (PubChem CID 67484216) has the molecular formula C13H16Cl2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-cyclopentylethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-cyclopentylethyl)benzene
PubChem CID67484216
Molecular FormulaC13H16Cl2
Molecular Weight243.18 g/mol
Exact Mass242.06
IUPAC Name1,2-dichloro-4-(2-cyclopentylethyl)benzene
SMILESClc1ccc(CCC2CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2/c14-12-8-7-11(9-13(12)15)6-5-10-3-1-2-4-10/h7-10H,1-6H2
InChIKeyCWQNIBJBRJMQQB-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
2-phenylethylcyclooctane
CID 54073487
1-chloro-5-(2-cyclobutylethyl)-2-fluoro-3-methylbenzene
CID 134389889
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-cyclopentylethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-cyclopentylethyl)benzene (CID 67484216) is 1,2-dichloro-4-(2-cyclopentylethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-cyclopentylethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-cyclopentylethyl)benzene is Clc1ccc(CCC2CCCC2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-(2-cyclopentylethyl)benzene?
The InChIKey is CWQNIBJBRJMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2/c14-12-8-7-11(9-13(12)15)6-5-10-3-1-2-4-10/h7-10H,1-6H2.
What are the key properties of 1,2-dichloro-4-(2-cyclopentylethyl)benzene?
1,2-dichloro-4-(2-cyclopentylethyl)benzene has a molecular weight of 243.18 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-cyclopentylethyl)benzene is sourced from PubChem (CID 67484216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).