7-bromo-6-methoxy-2,3-dihydro-1-benzofuran

C9H9BrO2 — CID 84692337

IUPAC7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1Br)OCC2
InChIInChI=1S/C9H9BrO2/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-3H,4-5H2,1H3
InChIKeyKETATNIZFWXRJF-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.39
Rot. Bonds1

About 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran

7-bromo-6-methoxy-2,3-dihydro-1-benzofuran (PubChem CID 84692337) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
PubChem CID84692337
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1Br)OCC2
InChIInChI=1S/C9H9BrO2/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-3H,4-5H2,1H3
InChIKeyKETATNIZFWXRJF-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran (CID 84692337) is 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran is COc1ccc2c(c1Br)OCC2.
What is the InChIKey of 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran?
The InChIKey is KETATNIZFWXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-3H,4-5H2,1H3.
What are the key properties of 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran?
7-bromo-6-methoxy-2,3-dihydro-1-benzofuran has a molecular weight of 229.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 84692337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).