4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde

C10H9BrO3 — CID 83901384

IUPAC4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
SMILESCC1Cc2c(Br)cc(C=O)c(O)c2O1
InChIInChI=1S/C10H9BrO3/c1-5-2-7-8(11)3-6(4-12)9(13)10(7)14-5/h3-5,13H,2H2,1H3
InChIKeyGAZBSYRDOQLLLL-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.29
Rot. Bonds1

About 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde

4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde (PubChem CID 83901384) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
PubChem CID83901384
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
SMILESCC1Cc2c(Br)cc(C=O)c(O)c2O1
InChIInChI=1S/C10H9BrO3/c1-5-2-7-8(11)3-6(4-12)9(13)10(7)14-5/h3-5,13H,2H2,1H3
InChIKeyGAZBSYRDOQLLLL-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde 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 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde?
The IUPAC name of 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde (CID 83901384) is 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde is CC1Cc2c(Br)cc(C=O)c(O)c2O1.
What is the InChIKey of 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde?
The InChIKey is GAZBSYRDOQLLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-5-2-7-8(11)3-6(4-12)9(13)10(7)14-5/h3-5,13H,2H2,1H3.
What are the key properties of 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde?
4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde has a molecular weight of 257.08 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 83901384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).