| Phytochemical Name : beta-Hydroxypropiovanillone |
| PCNDIDB0081 |
| Pubchem CID : 75142 |
| Molecular formula: C10H12O4 |
| Canonical SMILES : COC1=C(C=CC(=C1)C(=O)CCO)O |
Synonymes : beta-Hydroxypropiovanillone|2196-18-1|Propiophenone, 3,4'-dihydroxy-3'-methoxy-|3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one|1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-|M22UI268J1|Omega-Hydroxypropioguaiacone|.beta.-Hydroxypropiovanillone|UNII-M22UI268J1|4-HYDROXYPROPIOGUAIACONE|3,4'-DIHYDROXY-3'-METHOXYPROPIOPHENONE|beta-Hydroxypropiovanillone; omega-Hydroxypropioguaiacone|CHEMBL485875|SCHEMBL4545341|DTXSID10176366|CAA19618|HY-N2929|.OMEGA.-HYDROXYPROPIOGUAIACONE|AKOS022645250|3,4'-dihydroxy-3'-methoxy-propiophenone|MS-23061|CS-0023543|3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone|Q27283375|3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.710 |
| Log Po/w (XLOGP3) : -0.240 |
| Log Po/w (WLOGP) : 0.970 |
| Log Po/w (MLOGP) : 0.280 |
| Log Po/w (SILICOS-IT) : 1.440 |
| Consensus Log Po/w : 0.830 |