Aspidinol-B
Representations & DB's id
| ||
| ChEBI: | CHEBI:2884 | |
|---|---|---|
| ChEMBL: | CHEMBL214690 | |
| PubChem: | 122841 | |
| IUPAC: | 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one | |
| Standard InChI: | InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3 | |
| Standard InChI Key: | GJRJTYFSORWKBE-UHFFFAOYSA-N | |
| SMILES: | CCCC(=O)c1c(O)cc(c(c1O)C)OC | |
Molecular propeties
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| AlogP: | 2.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 224.1 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 12 | |