(1-chloro-2-cyclopentylbutan-2-yl)benzene

C15H21Cl — CID 82945804

IUPAC(1-chloro-2-cyclopentylbutan-2-yl)benzene
SMILESCCC(CCl)(c1ccccc1)C1CCCC1
InChIInChI=1S/C15H21Cl/c1-2-15(12-16,14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyJJAKWWRHEYAUPP-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.76
Rot. Bonds4

About (1-chloro-2-cyclopentylbutan-2-yl)benzene

(1-chloro-2-cyclopentylbutan-2-yl)benzene (PubChem CID 82945804) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is (1-chloro-2-cyclopentylbutan-2-yl)benzene.

Molecular Properties

Compound Name(1-chloro-2-cyclopentylbutan-2-yl)benzene
PubChem CID82945804
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name(1-chloro-2-cyclopentylbutan-2-yl)benzene
SMILESCCC(CCl)(c1ccccc1)C1CCCC1
InChIInChI=1S/C15H21Cl/c1-2-15(12-16,14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyJJAKWWRHEYAUPP-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.76
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-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
2-cyclohexyl-3-methoxy-N,N-dimethyl-2-phenylpropan-1-amine
CID 139927519
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclopentyl-1-phenylpent-2-yn-1-ol
CID 59644486
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
1-cyclopentyl-1-phenylprop-2-yn-1-amine
CID 171097737
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-cyclopentylbutan-2-yl)benzene?
The IUPAC name of (1-chloro-2-cyclopentylbutan-2-yl)benzene (CID 82945804) is (1-chloro-2-cyclopentylbutan-2-yl)benzene.
What is the SMILES notation for (1-chloro-2-cyclopentylbutan-2-yl)benzene?
The canonical SMILES for (1-chloro-2-cyclopentylbutan-2-yl)benzene is CCC(CCl)(c1ccccc1)C1CCCC1.
What is the InChIKey of (1-chloro-2-cyclopentylbutan-2-yl)benzene?
The InChIKey is JJAKWWRHEYAUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-2-15(12-16,14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3.
What are the key properties of (1-chloro-2-cyclopentylbutan-2-yl)benzene?
(1-chloro-2-cyclopentylbutan-2-yl)benzene has a molecular weight of 236.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-cyclopentylbutan-2-yl)benzene is sourced from PubChem (CID 82945804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).