7-bromo-5-methoxy-1-benzofuran

C9H7BrO2 — CID 22144703

IUPAC7-bromo-5-methoxy-1-benzofuran
SMILESCOc1cc(Br)c2occc2c1
InChIInChI=1S/C9H7BrO2/c1-11-7-4-6-2-3-12-9(6)8(10)5-7/h2-5H,1H3
InChIKeyWKGVJRCYYJKXJE-UHFFFAOYSA-N
MW227.06 g/mol
LogP3.20
Rot. Bonds1

About 7-bromo-5-methoxy-1-benzofuran

7-bromo-5-methoxy-1-benzofuran (PubChem CID 22144703) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-5-methoxy-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-methoxy-1-benzofuran
PubChem CID22144703
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name7-bromo-5-methoxy-1-benzofuran
SMILESCOc1cc(Br)c2occc2c1
InChIInChI=1S/C9H7BrO2/c1-11-7-4-6-2-3-12-9(6)8(10)5-7/h2-5H,1H3
InChIKeyWKGVJRCYYJKXJE-UHFFFAOYSA-N
XLogP3.20
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-1-benzofuran?
The IUPAC name of 7-bromo-5-methoxy-1-benzofuran (CID 22144703) is 7-bromo-5-methoxy-1-benzofuran.
What is the SMILES notation for 7-bromo-5-methoxy-1-benzofuran?
The canonical SMILES for 7-bromo-5-methoxy-1-benzofuran is COc1cc(Br)c2occc2c1.
What is the InChIKey of 7-bromo-5-methoxy-1-benzofuran?
The InChIKey is WKGVJRCYYJKXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c1-11-7-4-6-2-3-12-9(6)8(10)5-7/h2-5H,1H3.
What are the key properties of 7-bromo-5-methoxy-1-benzofuran?
7-bromo-5-methoxy-1-benzofuran has a molecular weight of 227.06 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-1-benzofuran is sourced from PubChem (CID 22144703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).