| Phytochemical Name : (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
| PCNDIDOT0264 |
| Pubchem CID : 5319394 |
| Molecular formula: C17H20O5 |
| Canonical SMILES : CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
Synonymes : (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.640 |
| Log Po/w (XLOGP3) : 3.170 |
| Log Po/w (WLOGP) : 3.030 |
| Log Po/w (MLOGP) : 2.680 |
| Log Po/w (SILICOS-IT) : 3.560 |
| Consensus Log Po/w : 3.220 |