3-bromo-2-ethyl-1-benzofuran

C10H9BrO — CID 3790709

IUPAC3-bromo-2-ethyl-1-benzofuran
SMILESCCc1oc2ccccc2c1Br
InChIInChI=1S/C10H9BrO/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h3-6H,2H2,1H3
InChIKeyPSOKQSNKTAQFKV-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-2-ethyl-1-benzofuran

3-bromo-2-ethyl-1-benzofuran (PubChem CID 3790709) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 3-bromo-2-ethyl-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2-ethyl-1-benzofuran
PubChem CID3790709
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name3-bromo-2-ethyl-1-benzofuran
SMILESCCc1oc2ccccc2c1Br
InChIInChI=1S/C10H9BrO/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h3-6H,2H2,1H3
InChIKeyPSOKQSNKTAQFKV-UHFFFAOYSA-N
XLogP3.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-1-benzofuran?
The IUPAC name of 3-bromo-2-ethyl-1-benzofuran (CID 3790709) is 3-bromo-2-ethyl-1-benzofuran.
What is the SMILES notation for 3-bromo-2-ethyl-1-benzofuran?
The canonical SMILES for 3-bromo-2-ethyl-1-benzofuran is CCc1oc2ccccc2c1Br.
What is the InChIKey of 3-bromo-2-ethyl-1-benzofuran?
The InChIKey is PSOKQSNKTAQFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h3-6H,2H2,1H3.
What are the key properties of 3-bromo-2-ethyl-1-benzofuran?
3-bromo-2-ethyl-1-benzofuran has a molecular weight of 225.08 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-1-benzofuran is sourced from PubChem (CID 3790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).