| Phytochemical Name : Thymol acetate |
| PCNDIDT0064 |
| Pubchem CID : 68252 |
| Molecular formula: C12H16O2 |
| Canonical SMILES : CC1=CC(=C(C=C1)C(C)C)OC(=O)C |
Synonymes : Thymol acetate|Thymyl acetate|Acetylthymol|528-79-0|O-Acetylthymol|Thymol, acetate|(5-methyl-2-propan-2-ylphenyl) acetate|Acetyl thymol|Phenol, 5-methyl-2-(1-methylethyl)-, acetate|CHEBI:9583|UNII-6I29126I5V|Phenol, 5-methyl-2-(1-methylethyl)-, 1-acetate|EINECS 208-442-8|6I29126I5V|NSC 406522|NSC-406522|AI3-03427|Thymol derivative, 17|THYMOL ACETATE [MI]|SCHEMBL250091|CHEMBL3343661|DTXSID40862124|BDBM248169|HMS1728G14|2-Isopropyl-5-methylphenol acetate|NSC406522|2-Isopropyl-5-methylphenyl acetate #|(2-isopropyl-5-methyl-phenyl) acetate|5-methyl-2-(propan-2-yl)phenyl acetate|C09909|EN300-22486452|Q27108438 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.610 |
| Log Po/w (XLOGP3) : 3.530 |
| Log Po/w (WLOGP) : 3.040 |
| Log Po/w (MLOGP) : 3.130 |
| Log Po/w (SILICOS-IT) : 3.210 |
| Consensus Log Po/w : 3.100 |