3-bromo-6-methyl-1-benzofuran-2-carbaldehyde

C10H7BrO2 — CID 13088466

IUPAC3-bromo-6-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1ccc2c(Br)c(C=O)oc2c1
InChIInChI=1S/C10H7BrO2/c1-6-2-3-7-8(4-6)13-9(5-12)10(7)11/h2-5H,1H3
InChIKeyKABFZKQJFKIALO-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.32
Rot. Bonds1

About 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde

3-bromo-6-methyl-1-benzofuran-2-carbaldehyde (PubChem CID 13088466) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-methyl-1-benzofuran-2-carbaldehyde
PubChem CID13088466
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name3-bromo-6-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1ccc2c(Br)c(C=O)oc2c1
InChIInChI=1S/C10H7BrO2/c1-6-2-3-7-8(4-6)13-9(5-12)10(7)11/h2-5H,1H3
InChIKeyKABFZKQJFKIALO-UHFFFAOYSA-N
XLogP3.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3,6-dimethyl-2-prop-1-enyl-1-benzofuran
CID 91153270
4-chloro-7-methyl-2-oxochromene-3-carbaldehyde
CID 15372644
10-bromo-3,6-dimethylphenanthrene-9-carbaldehyde
CID 86172567
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
1-bromo-7-methyldibenzofuran
CID 142340676
2,7-dimethylchromen-4-one
CID 2343140
3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
CID 71378043
6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
CID 122476118
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
7-bromo-2-methyldibenzofuran
CID 142427198
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde (CID 13088466) is 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde is Cc1ccc2c(Br)c(C=O)oc2c1.
What is the InChIKey of 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde?
The InChIKey is KABFZKQJFKIALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c1-6-2-3-7-8(4-6)13-9(5-12)10(7)11/h2-5H,1H3.
What are the key properties of 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde?
3-bromo-6-methyl-1-benzofuran-2-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 13088466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).