| Phytochemical Name : Coniferyl benzoate |
| PCNDIDC0234 |
| Pubchem CID : 6441293 |
| Molecular formula: C17H16O4 |
| Canonical SMILES : COC1=C(C=CC(=C1)C=CCOC(=O)C2=CC=CC=C2)O |
Synonymes : Coniferyl benzoate|coniferylbenzoate|4159-29-9|SCHEMBL19751387|CHEBI:86598|[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate|(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl benzoate|AKOS024326135|Q27159278|BENZOIC ACID 3-(4-HYDROXY-3-METHOXY-PHENYL)-ALLYL ESTER |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 4.020 |
| Log Po/w (WLOGP) : 3.160 |
| Log Po/w (MLOGP) : 2.890 |
| Log Po/w (SILICOS-IT) : 3.410 |
| Consensus Log Po/w : 3.350 |