7-bromo-4-methyl-1-benzofuran

C9H7BrO — CID 21071800

IUPAC7-bromo-4-methyl-1-benzofuran
SMILESCc1ccc(Br)c2occc12
InChIInChI=1S/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
InChIKeyGSSLPAYCQRXDCE-UHFFFAOYSA-N
MW211.06 g/mol
LogP3.50
Rot. Bonds

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

7-bromo-4-methyl-1-benzofuran (PubChem CID 21071800) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 7-bromo-4-methyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-4-methyl-1-benzofuran
PubChem CID21071800
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name7-bromo-4-methyl-1-benzofuran
SMILESCc1ccc(Br)c2occc12
InChIInChI=1S/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
InChIKeyGSSLPAYCQRXDCE-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

Analyze 7-bromo-4-methyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1-benzofuran?
The IUPAC name of 7-bromo-4-methyl-1-benzofuran (CID 21071800) is 7-bromo-4-methyl-1-benzofuran.
What is the SMILES notation for 7-bromo-4-methyl-1-benzofuran?
The canonical SMILES for 7-bromo-4-methyl-1-benzofuran is Cc1ccc(Br)c2occc12.
What is the InChIKey of 7-bromo-4-methyl-1-benzofuran?
The InChIKey is GSSLPAYCQRXDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3.
What are the key properties of 7-bromo-4-methyl-1-benzofuran?
7-bromo-4-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 7-bromo-4-methyl-1-benzofuran is sourced from PubChem (CID 21071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).