(2-chloro-1-cyclopentylethyl)benzene

C13H17Cl — CID 79019868

IUPAC(2-chloro-1-cyclopentylethyl)benzene
SMILESClCC(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H17Cl/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyXXTRFGKXJKEIAW-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.20
Rot. Bonds3

About (2-chloro-1-cyclopentylethyl)benzene

(2-chloro-1-cyclopentylethyl)benzene (PubChem CID 79019868) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is (2-chloro-1-cyclopentylethyl)benzene.

Molecular Properties

Compound Name(2-chloro-1-cyclopentylethyl)benzene
PubChem CID79019868
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name(2-chloro-1-cyclopentylethyl)benzene
SMILESClCC(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H17Cl/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyXXTRFGKXJKEIAW-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
1-cyclobutylpentylbenzene
CID 90897767
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
(S)-cyclopentyl(phenyl)methanol
CID 36691435
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-cyclopentylethyl)benzene?
The IUPAC name of (2-chloro-1-cyclopentylethyl)benzene (CID 79019868) is (2-chloro-1-cyclopentylethyl)benzene.
What is the SMILES notation for (2-chloro-1-cyclopentylethyl)benzene?
The canonical SMILES for (2-chloro-1-cyclopentylethyl)benzene is ClCC(c1ccccc1)C1CCCC1.
What is the InChIKey of (2-chloro-1-cyclopentylethyl)benzene?
The InChIKey is XXTRFGKXJKEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2.
What are the key properties of (2-chloro-1-cyclopentylethyl)benzene?
(2-chloro-1-cyclopentylethyl)benzene has a molecular weight of 208.73 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-cyclopentylethyl)benzene is sourced from PubChem (CID 79019868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).