| Phytochemical Name : Methyl 2-pentanoylbenzoate |
| PCNDIDM0081 |
| Pubchem CID : 11085323 |
| Molecular formula: C13H16O3 |
| Canonical SMILES : CCCCC(=O)C1=CC=CC=C1C(=O)OC |
Synonymes : Methyl 2-pentanoylbenzoate|64624-87-9|Benzoic acid, 2-(1-oxopentyl)-, methyl ester|SCHEMBL15222156|DTXSID40454689|2-Valerylbenzoic acid methyl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.480 |
| Log Po/w (XLOGP3) : 2.410 |
| Log Po/w (WLOGP) : 2.850 |
| Log Po/w (MLOGP) : 2.430 |
| Log Po/w (SILICOS-IT) : 3.200 |
| Consensus Log Po/w : 2.670 |