3-bromo-2-methyl-1-benzofuran

C9H7BrO — CID 11514006

IUPAC3-bromo-2-methyl-1-benzofuran
SMILESCc1oc2ccccc2c1Br
InChIInChI=1S/C9H7BrO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChIKeyOEGMISNFEAVBHA-UHFFFAOYSA-N
MW211.06 g/mol
LogP3.50
Rot. Bonds

About 3-bromo-2-methyl-1-benzofuran

3-bromo-2-methyl-1-benzofuran (PubChem CID 11514006) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-2-methyl-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2-methyl-1-benzofuran
PubChem CID11514006
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name3-bromo-2-methyl-1-benzofuran
SMILESCc1oc2ccccc2c1Br
InChIInChI=1S/C9H7BrO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChIKeyOEGMISNFEAVBHA-UHFFFAOYSA-N
XLogP3.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1-benzofuran?
The IUPAC name of 3-bromo-2-methyl-1-benzofuran (CID 11514006) is 3-bromo-2-methyl-1-benzofuran.
What is the SMILES notation for 3-bromo-2-methyl-1-benzofuran?
The canonical SMILES for 3-bromo-2-methyl-1-benzofuran is Cc1oc2ccccc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-1-benzofuran?
The InChIKey is OEGMISNFEAVBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3.
What are the key properties of 3-bromo-2-methyl-1-benzofuran?
3-bromo-2-methyl-1-benzofuran has a molecular weight of 211.06 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1-benzofuran is sourced from PubChem (CID 11514006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).