2-(2-bromocyclopentyl)-5-chloro-1-benzofuran

C13H12BrClO — CID 114732824

IUPAC2-(2-bromocyclopentyl)-5-chloro-1-benzofuran
SMILESClc1ccc2oc(C3CCCC3Br)cc2c1
InChIInChI=1S/C13H12BrClO/c14-11-3-1-2-10(11)13-7-8-6-9(15)4-5-12(8)16-13/h4-7,10-11H,1-3H2
InChIKeyMIVKLNKDODMIII-UHFFFAOYSA-N
MW299.59 g/mol
LogP5.12
Rot. Bonds1

About 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran

2-(2-bromocyclopentyl)-5-chloro-1-benzofuran (PubChem CID 114732824) has the molecular formula C13H12BrClO and a molecular weight of 299.59 g/mol. Its IUPAC name is 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran.

Molecular Properties

Compound Name2-(2-bromocyclopentyl)-5-chloro-1-benzofuran
PubChem CID114732824
Molecular FormulaC13H12BrClO
Molecular Weight299.59 g/mol
Exact Mass297.98
IUPAC Name2-(2-bromocyclopentyl)-5-chloro-1-benzofuran
SMILESClc1ccc2oc(C3CCCC3Br)cc2c1
InChIInChI=1S/C13H12BrClO/c14-11-3-1-2-10(11)13-7-8-6-9(15)4-5-12(8)16-13/h4-7,10-11H,1-3H2
InChIKeyMIVKLNKDODMIII-UHFFFAOYSA-N
XLogP5.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.59
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromocyclopentyl)-5-chloro-1-benzofuran?
The IUPAC name of 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran (CID 114732824) is 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran.
What is the SMILES notation for 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran?
The canonical SMILES for 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran is Clc1ccc2oc(C3CCCC3Br)cc2c1.
What is the InChIKey of 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran?
The InChIKey is MIVKLNKDODMIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO/c14-11-3-1-2-10(11)13-7-8-6-9(15)4-5-12(8)16-13/h4-7,10-11H,1-3H2.
What are the key properties of 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran?
2-(2-bromocyclopentyl)-5-chloro-1-benzofuran has a molecular weight of 299.59 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclopentyl)-5-chloro-1-benzofuran is sourced from PubChem (CID 114732824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).