6-bromo-3-cyclopentyl-1-benzofuran

C13H13BrO — CID 58745777

IUPAC6-bromo-3-cyclopentyl-1-benzofuran
SMILESBrc1ccc2c(C3CCCC3)coc2c1
InChIInChI=1S/C13H13BrO/c14-10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyWXLQKJIUESREPV-UHFFFAOYSA-N
MW265.15 g/mol
LogP4.85
Rot. Bonds1

About 6-bromo-3-cyclopentyl-1-benzofuran

6-bromo-3-cyclopentyl-1-benzofuran (PubChem CID 58745777) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-bromo-3-cyclopentyl-1-benzofuran.

Molecular Properties

Compound Name6-bromo-3-cyclopentyl-1-benzofuran
PubChem CID58745777
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name6-bromo-3-cyclopentyl-1-benzofuran
SMILESBrc1ccc2c(C3CCCC3)coc2c1
InChIInChI=1S/C13H13BrO/c14-10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyWXLQKJIUESREPV-UHFFFAOYSA-N
XLogP4.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclopentyl-1-benzofuran?
The IUPAC name of 6-bromo-3-cyclopentyl-1-benzofuran (CID 58745777) is 6-bromo-3-cyclopentyl-1-benzofuran.
What is the SMILES notation for 6-bromo-3-cyclopentyl-1-benzofuran?
The canonical SMILES for 6-bromo-3-cyclopentyl-1-benzofuran is Brc1ccc2c(C3CCCC3)coc2c1.
What is the InChIKey of 6-bromo-3-cyclopentyl-1-benzofuran?
The InChIKey is WXLQKJIUESREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO/c14-10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 6-bromo-3-cyclopentyl-1-benzofuran?
6-bromo-3-cyclopentyl-1-benzofuran has a molecular weight of 265.15 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclopentyl-1-benzofuran is sourced from PubChem (CID 58745777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).