| Phytochemical Name : 2-[(3r,5s,8r)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| PCNDIDOT0565 |
| Pubchem CID : 72607 |
| Molecular formula: C15H26O |
| Canonical SMILES : CC1CCC(CC2=C1CCC2C)C(C)(C)O |
Synonymes : 2-[(3r,5s,8r)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol|18680-83-6|5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-|[3R,(+)]-1,2,3,4,5,6,7,8-Octahydro-alpha,alpha,3beta,8beta-tetramethyl-5beta-azulenemethanol|alpha-Guaiol|.alpha.-Guaiol|(+)-Guaiol|3,8-dimethyl-5-(alpha-hydroxyisopropyl)-delta-9-octahydroazulene|2-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-5-azulenyl)-2-propanol #|SCHEMBL16207769|(3S,5R,8S)-1,2,3,4,5,6,7,8-Octahydro-alpha,-alpha,3,8-tetramethyl-5-azulenemethanol|2 - ((3S,8S) - 1,2,3,4,5,6,7,8 - octahydro - 3,8 - dimethylazulen - 5 - yl)propan - 2 - ol|5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro- ?,?,3,8-tetramethyl-, [3S-(3?,5?,8?)]-|5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.290 |
| Log Po/w (XLOGP3) : 3.070 |
| Log Po/w (WLOGP) : 3.920 |
| Log Po/w (MLOGP) : 3.670 |
| Log Po/w (SILICOS-IT) : 3.350 |
| Consensus Log Po/w : 3.460 |