4-(2-bromocyclopentyl)-1,2-dimethylbenzene

C13H17Br — CID 63511139

IUPAC4-(2-bromocyclopentyl)-1,2-dimethylbenzene
SMILESCc1ccc(C2CCCC2Br)cc1C
InChIInChI=1S/C13H17Br/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h6-8,12-13H,3-5H2,1-2H3
InChIKeyJBPURKOKUZJDLS-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.33
Rot. Bonds1

About 4-(2-bromocyclopentyl)-1,2-dimethylbenzene

4-(2-bromocyclopentyl)-1,2-dimethylbenzene (PubChem CID 63511139) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-(2-bromocyclopentyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-bromocyclopentyl)-1,2-dimethylbenzene
PubChem CID63511139
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name4-(2-bromocyclopentyl)-1,2-dimethylbenzene
SMILESCc1ccc(C2CCCC2Br)cc1C
InChIInChI=1S/C13H17Br/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h6-8,12-13H,3-5H2,1-2H3
InChIKeyJBPURKOKUZJDLS-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.33
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 4-(2-bromocyclopentyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-bromocyclopentyl)-1,2-dimethylbenzene (CID 63511139) is 4-(2-bromocyclopentyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-bromocyclopentyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-bromocyclopentyl)-1,2-dimethylbenzene is Cc1ccc(C2CCCC2Br)cc1C.
What is the InChIKey of 4-(2-bromocyclopentyl)-1,2-dimethylbenzene?
The InChIKey is JBPURKOKUZJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h6-8,12-13H,3-5H2,1-2H3.
What are the key properties of 4-(2-bromocyclopentyl)-1,2-dimethylbenzene?
4-(2-bromocyclopentyl)-1,2-dimethylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromocyclopentyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63511139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).