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

C10H9BrO2 — CID 117045839

IUPAC6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde
SMILESCC1(C=O)Cc2ccc(Br)cc2O1
InChIInChI=1S/C10H9BrO2/c1-10(6-12)5-7-2-3-8(11)4-9(7)13-10/h2-4,6H,5H2,1H3
InChIKeyYXYUHSKYHVVSSK-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.34
Rot. Bonds1

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

6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde (PubChem CID 117045839) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde
PubChem CID117045839
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde
SMILESCC1(C=O)Cc2ccc(Br)cc2O1
InChIInChI=1S/C10H9BrO2/c1-10(6-12)5-7-2-3-8(11)4-9(7)13-10/h2-4,6H,5H2,1H3
InChIKeyYXYUHSKYHVVSSK-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-methyl-3H-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

6-fluoro-3-methyl-1-oxo-4H-isochromene-3-carbaldehyde
CID 165441892
7-bromo-2,2-dimethylchromene-3-carbaldehyde
CID 166457648
7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
CID 164899375
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 89293761
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
CID 134939038
2-methyl-2-[(E)-prop-1-enyl]-3H-1-benzofuran
CID 14710488
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
CID 16754305
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
methyl (3S)-7-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 41493740

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde (CID 117045839) is 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde is CC1(C=O)Cc2ccc(Br)cc2O1.
What is the InChIKey of 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde?
The InChIKey is YXYUHSKYHVVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-10(6-12)5-7-2-3-8(11)4-9(7)13-10/h2-4,6H,5H2,1H3.
What are the key properties of 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde?
6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde has a molecular weight of 241.08 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3H-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 117045839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).