(1-chloro-2-cyclopentylethyl)benzene

C13H17Cl — CID 63428897

IUPAC(1-chloro-2-cyclopentylethyl)benzene
SMILESClC(CC1CCCC1)c1ccccc1
InChIInChI=1S/C13H17Cl/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2
InChIKeyBYLQONMANXFSQB-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.55
Rot. Bonds3

About (1-chloro-2-cyclopentylethyl)benzene

(1-chloro-2-cyclopentylethyl)benzene (PubChem CID 63428897) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is (1-chloro-2-cyclopentylethyl)benzene.

Molecular Properties

Compound Name(1-chloro-2-cyclopentylethyl)benzene
PubChem CID63428897
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name(1-chloro-2-cyclopentylethyl)benzene
SMILESClC(CC1CCCC1)c1ccccc1
InChIInChI=1S/C13H17Cl/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2
InChIKeyBYLQONMANXFSQB-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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-1-phenylethyl)benzene
CID 138978826
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
CID 63435035
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
2-cyclopentyl-1-phenylethanol
CID 15629098
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
2-cycloheptyl-1-phenylethanamine
CID 21261900
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
1-butan-2-yl-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165604
3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
CID 63433864
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-cyclopentylethyl)benzene?
The IUPAC name of (1-chloro-2-cyclopentylethyl)benzene (CID 63428897) is (1-chloro-2-cyclopentylethyl)benzene.
What is the SMILES notation for (1-chloro-2-cyclopentylethyl)benzene?
The canonical SMILES for (1-chloro-2-cyclopentylethyl)benzene is ClC(CC1CCCC1)c1ccccc1.
What is the InChIKey of (1-chloro-2-cyclopentylethyl)benzene?
The InChIKey is BYLQONMANXFSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10H2.
What are the key properties of (1-chloro-2-cyclopentylethyl)benzene?
(1-chloro-2-cyclopentylethyl)benzene has a molecular weight of 208.73 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-cyclopentylethyl)benzene is sourced from PubChem (CID 63428897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).