| Phytochemical Name : Octadecyl caffeate |
| PCNDIDO0009 |
| Pubchem CID : 5320237 |
| Molecular formula: C27H44O4 |
| Canonical SMILES : CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
Synonymes : Octadecyl caffeate|69573-60-0|n-octadecyl caffeate|Caffeic acid n-octadecyl ester|458UK7GX7M|trans-Caffeic acid stearyl ester|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octadecyl ester, (2E)-|CHEMBL471797|octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|OCTADECYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octadecyl ester, (E)-|Steryl caffeate|Octadecylcaffeate|n-octadecyl ester|UNII-458UK7GX7M|SCHEMBL883450|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octadecyl ester, (E)-; trans-Caffeic acid stearyl ester|BDBM50479621|AKOS025287875|3,4-Dihydroxycinnamic acid octadecyl ester|Octadecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.770 |
| Log Po/w (XLOGP3) : 11.110 |
| Log Po/w (WLOGP) : 7.810 |
| Log Po/w (MLOGP) : 5.040 |
| Log Po/w (SILICOS-IT) : 8.250 |
| Consensus Log Po/w : 7.600 |