3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One
Representations & DB's id
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| ChEBI: | CHEBI:15951 | |
|---|---|---|
| ChEMBL: | CHEMBL19948 | |
| PubChem: | 441269 | |
| IUPAC: | 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one | |
| Standard InChI: | InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3 | |
| Standard InChI Key: | VSDWHZGJGWMIRN-UHFFFAOYSA-N | |
| SMILES: | CC(CC(=O)c1c(O)cc(cc1O)O)C | |
Molecular propeties
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| AlogP: | 2.03 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 210.09 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 11 | |