4-bromo-7-methyl-1-benzofuran

C9H7BrO — CID 83681547

IUPAC4-bromo-7-methyl-1-benzofuran
SMILESCc1ccc(Br)c2ccoc12
InChIInChI=1S/C9H7BrO/c1-6-2-3-8(10)7-4-5-11-9(6)7/h2-5H,1H3
InChIKeyMECGYZSGNVPTER-UHFFFAOYSA-N
MW211.06 g/mol
LogP3.50
Rot. Bonds

About 4-bromo-7-methyl-1-benzofuran

4-bromo-7-methyl-1-benzofuran (PubChem CID 83681547) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 4-bromo-7-methyl-1-benzofuran.

Molecular Properties

Compound Name4-bromo-7-methyl-1-benzofuran
PubChem CID83681547
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name4-bromo-7-methyl-1-benzofuran
SMILESCc1ccc(Br)c2ccoc12
InChIInChI=1S/C9H7BrO/c1-6-2-3-8(10)7-4-5-11-9(6)7/h2-5H,1H3
InChIKeyMECGYZSGNVPTER-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 4-bromo-7-methyl-1-benzofuran?
The IUPAC name of 4-bromo-7-methyl-1-benzofuran (CID 83681547) is 4-bromo-7-methyl-1-benzofuran.
What is the SMILES notation for 4-bromo-7-methyl-1-benzofuran?
The canonical SMILES for 4-bromo-7-methyl-1-benzofuran is Cc1ccc(Br)c2ccoc12.
What is the InChIKey of 4-bromo-7-methyl-1-benzofuran?
The InChIKey is MECGYZSGNVPTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c1-6-2-3-8(10)7-4-5-11-9(6)7/h2-5H,1H3.
What are the key properties of 4-bromo-7-methyl-1-benzofuran?
4-bromo-7-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 4-bromo-7-methyl-1-benzofuran is sourced from PubChem (CID 83681547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).