| Phytochemical Name : Onitin |
| PCNDIDO0025 |
| Pubchem CID : 3085044 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCO |
Synonymes : Onitin|53823-02-2|4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one|4-Hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3-Dihydro-1H-inden-1-one|1H-Inden-1-one, 2,3-dihydro-4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-|2,3-Dihydro-4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1H-inden-1-one; 2,2,5,7-Tetramethyl-4-hydroxy-6-(2-hydroxyethyl)indanone|CHEMBL261243|SCHEMBL16489156|DTXSID20202105|AKOS022663882|4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethylindanone|B0005-123296 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.310 |
| Log Po/w (XLOGP3) : 2.550 |
| Log Po/w (WLOGP) : 2.310 |
| Log Po/w (MLOGP) : 1.830 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 2.600 |