1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene

C13H16BrCl — CID 130640114

IUPAC1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene
SMILESClc1ccc(CCC2CCCC2Br)cc1
InChIInChI=1S/C13H16BrCl/c14-13-3-1-2-11(13)7-4-10-5-8-12(15)9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChIKeyHOFIQBYGLPZVQZ-UHFFFAOYSA-N
MW287.63 g/mol
LogP4.84
Rot. Bonds3

About 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene

1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene (PubChem CID 130640114) has the molecular formula C13H16BrCl and a molecular weight of 287.63 g/mol. Its IUPAC name is 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene
PubChem CID130640114
Molecular FormulaC13H16BrCl
Molecular Weight287.63 g/mol
Exact Mass286.01
IUPAC Name1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene
SMILESClc1ccc(CCC2CCCC2Br)cc1
InChIInChI=1S/C13H16BrCl/c14-13-3-1-2-11(13)7-4-10-5-8-12(15)9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChIKeyHOFIQBYGLPZVQZ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene?
The IUPAC name of 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene (CID 130640114) is 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene is Clc1ccc(CCC2CCCC2Br)cc1.
What is the InChIKey of 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene?
The InChIKey is HOFIQBYGLPZVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl/c14-13-3-1-2-11(13)7-4-10-5-8-12(15)9-6-10/h5-6,8-9,11,13H,1-4,7H2.
What are the key properties of 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene?
1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene has a molecular weight of 287.63 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromocyclopentyl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 130640114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).