1-Propanone, 1-(2-furanyl)-

1-Propanone, 1-(2-furanyl)-
Compound Structure:
Synonyms: 2-Propionylfuran;3194-15-8;1-(2-Furyl)propan-1-one;1-(furan-2-yl)propan-1-one;1-Propanone, 1-(2-furanyl)-;Furyl ethyl ketone;2-Furyl ethyl ketone;Ethyl 2-furyl ketone;1-(2-Furyl)-1-propanone;1-(2-furanyl)-1-propanone;1-Propanone, 1-(2-furyl)-;ETHYL FURYL
Compound ID: NMPC-770
PubChem ID:

76662

Molecular Formula: C7H8O2
Canonical SMILES: CCC(=O)C1=CC=CO1
InChIKey: HCPORNAVHSWTOJ-UHFFFAOYSA-N
About the compound:

1-Propanone, 1-(2-furanyl)-, also known as 2-furyl methyl ketone or 1-(furan-2-yl)propan-1-one, is a furan-based oxygenated ketone commonly identified in plant extracts, thermal degradation products of carbohydrates, and pyrolysis or fermentation-derived materials. Structurally, it consists of a furan ring linked to a propanone side chain, which contributes to its moderate volatility and aromatic character. This compound is frequently detected in GC–MS analyses of biomass, essential oils, and food matrices, where it plays a role in flavor and aroma development, imparting sweet, caramel-like, or roasted notes. Biologically, furan derivatives such as 1-(2-furanyl)propan-1-one have attracted attention due to their antioxidant, antimicrobial, and anti-inflammatory potentials, largely attributed to the reactive furan nucleus. In phytochemical studies, its presence is often associated with Maillard reaction products or secondary metabolites formed during heat processing, and it may contribute synergistically to the overall therapeutic relevance of plant extracts, although its specific pharmacological activity requires further targeted in-vivo and mechanistic investigations.

Properties:


Property Name

Property Value

Molecular Weight

124.14 g/mol

XLogP3

1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

124.052429494 g/mol

Monoisotopic Mass

124.052429494 g/mol

Topological Polar Surface Area

30.2²

Heavy Atom Count

9

Formal Charge

0

Complexity

110

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem

Source Species: Tamarindus indica
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