| Phytochemical Name : 4-Hydroxy-4-methylcyclohexanone |
| PCNDIDOT0857 |
| Pubchem CID : 28539 |
| Molecular formula: C7H12O2 |
| Canonical SMILES : CC1(CCC(=O)CC1)O |
Synonymes : 4-Hydroxy-4-methylcyclohexanone|17429-02-6|4-hydroxy-4-methylcyclohexan-1-one|Cyclohexanone, 4-hydroxy-4-methyl-|4-Methyl-4-hydroxycyclohexanone|4-hydroxy-4-methyl-cyclohexanone|SCHEMBL607485|DTXSID40169807|MFCD13659404|AKOS014316355|HY-W036733|SB84304|AMY202100039|AS-47438|CS-0091842|EN300-137571|F13738|A929640|Z1255440285|75640-25-4 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.340 |
| Log Po/w (XLOGP3) : -0.040 |
| Log Po/w (WLOGP) : 0.880 |
| Log Po/w (MLOGP) : 0.420 |
| Log Po/w (SILICOS-IT) : 1.600 |
| Consensus Log Po/w : 0.840 |