5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran

C10H7BrO2 — CID 30121829

IUPAC5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
SMILESBrc1ccc2oc([C@H]3CO3)cc2c1
InChIInChI=1S/C10H7BrO2/c11-7-1-2-8-6(3-7)4-9(13-8)10-5-12-10/h1-4,10H,5H2/t10-/m1/s1
InChIKeyAJSUIRLJDMPOCZ-SNVBAGLBSA-N
MW239.07 g/mol
LogP3.27
Rot. Bonds1

About 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran

5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran (PubChem CID 30121829) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
PubChem CID30121829
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
SMILESBrc1ccc2oc([C@H]3CO3)cc2c1
InChIInChI=1S/C10H7BrO2/c11-7-1-2-8-6(3-7)4-9(13-8)10-5-12-10/h1-4,10H,5H2/t10-/m1/s1
InChIKeyAJSUIRLJDMPOCZ-SNVBAGLBSA-N
XLogP3.27
TPSA25.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran?
The IUPAC name of 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran (CID 30121829) is 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran.
What is the SMILES notation for 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran?
The canonical SMILES for 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran is Brc1ccc2oc([C@H]3CO3)cc2c1.
What is the InChIKey of 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran?
The InChIKey is AJSUIRLJDMPOCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-7-1-2-8-6(3-7)4-9(13-8)10-5-12-10/h1-4,10H,5H2/t10-/m1/s1.
What are the key properties of 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran?
5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran has a molecular weight of 239.07 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran is sourced from PubChem (CID 30121829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).