Paeonol
Representations & DB's id
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| ChEBI: | CHEBI:69581 | |
|---|---|---|
| ChEMBL: | CHEMBL1079227 | |
| PubChem: | 11092 | |
| IUPAC: | 1-(2-hydroxy-4-methoxyphenyl)ethanone | |
| Standard InChI: | InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 | |
| Standard InChI Key: | UILPJVPSNHJFIK-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(c(c1)O)C(=O)C | |
Molecular propeties
| ||
| AlogP: | 1.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 166.06 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |