2-(3-bromocyclopentyl)ethylbenzene

C13H17Br — CID 64506703

IUPAC2-(3-bromocyclopentyl)ethylbenzene
SMILESBrC1CCC(CCc2ccccc2)C1
InChIInChI=1S/C13H17Br/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyXMFSKMBVYFJWMS-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-bromocyclopentyl)ethylbenzene

2-(3-bromocyclopentyl)ethylbenzene (PubChem CID 64506703) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-(3-bromocyclopentyl)ethylbenzene.

Molecular Properties

Compound Name2-(3-bromocyclopentyl)ethylbenzene
PubChem CID64506703
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name2-(3-bromocyclopentyl)ethylbenzene
SMILESBrC1CCC(CCc2ccccc2)C1
InChIInChI=1S/C13H17Br/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyXMFSKMBVYFJWMS-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.18
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 2-(3-bromocyclopentyl)ethylbenzene?
The IUPAC name of 2-(3-bromocyclopentyl)ethylbenzene (CID 64506703) is 2-(3-bromocyclopentyl)ethylbenzene.
What is the SMILES notation for 2-(3-bromocyclopentyl)ethylbenzene?
The canonical SMILES for 2-(3-bromocyclopentyl)ethylbenzene is BrC1CCC(CCc2ccccc2)C1.
What is the InChIKey of 2-(3-bromocyclopentyl)ethylbenzene?
The InChIKey is XMFSKMBVYFJWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of 2-(3-bromocyclopentyl)ethylbenzene?
2-(3-bromocyclopentyl)ethylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromocyclopentyl)ethylbenzene is sourced from PubChem (CID 64506703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).