1-(3,4-Dimethoxyphenyl)Propan-1-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479685 | |
| PubChem: | 15781 | |
| IUPAC: | 1-(3,4-dimethoxyphenyl)propan-1-one | |
| Standard InChI: | InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3 | |
| Standard InChI Key: | SBMSBQOMJGZBRY-UHFFFAOYSA-N | |
| SMILES: | CCC(=O)c1ccc(c(c1)OC)OC | |
Molecular propeties
| ||
| AlogP: | 2.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.09 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 11 | |