| Phytochemical Name : Phenyl isobutyrate |
| PCNDIDP0083 |
| Pubchem CID : 519756 |
| Molecular formula: C10H12O2 |
| Canonical SMILES : CC(C)C(=O)OC1=CC=CC=C1 |
Synonymes : Phenyl isobutyrate|20279-29-2|Phenyl 2-methylpropanoate|Isobutyric Acid Phenyl Ester|phenyl 2-methylpropionate|Propanoic acid, 2-methyl-, phenyl ester|Isobutyric acid, phenyl ester|ISOBUTYRICACIDPHENYLESTER|Phenyl isobutanoate|SCHEMBL514357|DTXSID80334133|2-methyl-propionic acid phenyl ester|MFCD00157315|AKOS003042578|Propanoic acid, 2-methyl, phenyl ester|AS-64057|CS-0205060|FT-0693836|I0482|D91164 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.350 |
| Log Po/w (XLOGP3) : 2.530 |
| Log Po/w (WLOGP) : 2.250 |
| Log Po/w (MLOGP) : 2.550 |
| Log Po/w (SILICOS-IT) : 2.210 |
| Consensus Log Po/w : 2.380 |