5-Methylfurfural
Representations & DB's id
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| ChEBI: | CHEBI:2091 | |
|---|---|---|
| ChEMBL: | CHEMBL2230304 | |
| PubChem: | 12097 | |
| IUPAC: | 5-methylfuran-2-carbaldehyde | |
| Standard InChI: | InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3 | |
| Standard InChI Key: | OUDFNZMQXZILJD-UHFFFAOYSA-N | |
| SMILES: | Cc1ccc(o1)C=O | |
Molecular propeties
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| AlogP: | 1.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 110.04 | |
| Topological polar surface area: | 30.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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