5-bromo-2-(chloromethyl)-1-benzofuran

C9H6BrClO — CID 2795539

IUPAC5-bromo-2-(chloromethyl)-1-benzofuran
SMILESClCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
InChIKeyIGVKTJSZEQNSNH-UHFFFAOYSA-N
MW245.50 g/mol
LogP3.93
Rot. Bonds1

About 5-bromo-2-(chloromethyl)-1-benzofuran

5-bromo-2-(chloromethyl)-1-benzofuran (PubChem CID 2795539) has the molecular formula C9H6BrClO and a molecular weight of 245.50 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-benzofuran
PubChem CID2795539
Molecular FormulaC9H6BrClO
Molecular Weight245.50 g/mol
Exact Mass243.93
IUPAC Name5-bromo-2-(chloromethyl)-1-benzofuran
SMILESClCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
InChIKeyIGVKTJSZEQNSNH-UHFFFAOYSA-N
XLogP3.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 53.93
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 5-bromo-2-(chloromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-benzofuran (CID 2795539) is 5-bromo-2-(chloromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-benzofuran is ClCc1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-benzofuran?
The InChIKey is IGVKTJSZEQNSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2.
What are the key properties of 5-bromo-2-(chloromethyl)-1-benzofuran?
5-bromo-2-(chloromethyl)-1-benzofuran has a molecular weight of 245.50 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-benzofuran is sourced from PubChem (CID 2795539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).