O-Acetyl-Thymol
Representations & DB's id
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| ChEBI: | CHEBI:9583 | |
|---|---|---|
| ChEMBL: | CHEMBL3343661 | |
| PubChem: | 68252 | |
| IUPAC: | (5-methyl-2-propan-2-ylphenyl) acetate | |
| Standard InChI: | InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 | |
| Standard InChI Key: | WFMIUXMJJBBOGJ-UHFFFAOYSA-N | |
| SMILES: | CC(=O)Oc1cc(C)ccc1C(C)C | |
Molecular propeties
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| AlogP: | 3.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 192.12 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 12 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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