7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde

C11H9BrO3 — CID 156725287

IUPAC7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde
SMILESCCc1cc2c(O)c(C=O)cc(Br)c2o1
InChIInChI=1S/C11H9BrO3/c1-2-7-4-8-10(14)6(5-13)3-9(12)11(8)15-7/h3-5,14H,2H2,1H3
InChIKeyQSQWUWBFMOLCGJ-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.28
Rot. Bonds2

About 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde

7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde (PubChem CID 156725287) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde
PubChem CID156725287
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde
SMILESCCc1cc2c(O)c(C=O)cc(Br)c2o1
InChIInChI=1S/C11H9BrO3/c1-2-7-4-8-10(14)6(5-13)3-9(12)11(8)15-7/h3-5,14H,2H2,1H3
InChIKeyQSQWUWBFMOLCGJ-UHFFFAOYSA-N
XLogP3.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde?
The IUPAC name of 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde (CID 156725287) is 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde is CCc1cc2c(O)c(C=O)cc(Br)c2o1.
What is the InChIKey of 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde?
The InChIKey is QSQWUWBFMOLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-2-7-4-8-10(14)6(5-13)3-9(12)11(8)15-7/h3-5,14H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde?
7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde has a molecular weight of 269.09 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-4-hydroxy-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 156725287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).