5-acetyl-1-benzofuran-7-carbaldehyde

C11H8O3 — CID 21220947

IUPAC5-acetyl-1-benzofuran-7-carbaldehyde
SMILESCC(=O)c1cc(C=O)c2occc2c1
InChIInChI=1S/C11H8O3/c1-7(13)9-4-8-2-3-14-11(8)10(5-9)6-12/h2-6H,1H3
InChIKeyGMFJMDHMIYVCKC-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.45
Rot. Bonds2

About 5-acetyl-1-benzofuran-7-carbaldehyde

5-acetyl-1-benzofuran-7-carbaldehyde (PubChem CID 21220947) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-acetyl-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-acetyl-1-benzofuran-7-carbaldehyde
PubChem CID21220947
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name5-acetyl-1-benzofuran-7-carbaldehyde
SMILESCC(=O)c1cc(C=O)c2occc2c1
InChIInChI=1S/C11H8O3/c1-7(13)9-4-8-2-3-14-11(8)10(5-9)6-12/h2-6H,1H3
InChIKeyGMFJMDHMIYVCKC-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-2-iodo-3-methylbenzaldehyde
CID 171015504
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
CID 21220942
2,5-diacetylbenzaldehyde
CID 143109306
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
5-acetyl-3-chloro-2-iodobenzaldehyde
CID 171002056
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
5-acetyl-3-chloro-2-methylbenzaldehyde
CID 171003493
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
methyl 3-(3-formylfuran-2-yl)benzoate
CID 87990777
5-acetylfuro[2,3-c]pyridine-7-carbonitrile
CID 130056722
7-amino-1-benzofuran-6-carbaldehyde
CID 82415505

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-acetyl-1-benzofuran-7-carbaldehyde (CID 21220947) is 5-acetyl-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-acetyl-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-acetyl-1-benzofuran-7-carbaldehyde is CC(=O)c1cc(C=O)c2occc2c1.
What is the InChIKey of 5-acetyl-1-benzofuran-7-carbaldehyde?
The InChIKey is GMFJMDHMIYVCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-7(13)9-4-8-2-3-14-11(8)10(5-9)6-12/h2-6H,1H3.
What are the key properties of 5-acetyl-1-benzofuran-7-carbaldehyde?
5-acetyl-1-benzofuran-7-carbaldehyde has a molecular weight of 188.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 21220947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).