2,4,5-Trimethoxyphenylacetone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL481233 | |
| PubChem: | 3083746 | |
| IUPAC: | 1-(2,4,5-trimethoxyphenyl)propan-2-one | |
| Standard InChI: | InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3 | |
| Standard InChI Key: | AQZHZTTUVYQMIN-UHFFFAOYSA-N | |
| SMILES: | COc1cc(OC)c(cc1CC(=O)C)OC | |
Molecular propeties
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| AlogP: | 1.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 224.1 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 12 | |