| Phytochemical Name : Ethyl caffeate |
| PCNDIDE0087 |
| Pubchem CID : 5317238 |
| Molecular formula: C11H12O4 |
| Canonical SMILES : CCOC(=O)C=CC1=CC(=C(C=C1)O)O |
Synonymes : Ethyl caffeate|102-37-4|66648-50-8|Ethyl 3,4-dihydroxycinnamate|Ethyl 3-(3,4-dihydroxyphenyl)acrylate|ethyl trans-caffeate|Caffeic acid ethyl ester|ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|(E)-ethyl 3-(3,4-dihydroxyphenyl)acrylate|(E)-Ethyl Dihydroxycinnamate|UNII-76GBB1JU5Y|76GBB1JU5Y|CHEMBL17347|CHEBI:69656|Ethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate|3,4-Dihydroxycinnamic acid ethyl ester|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester|4gqq|(E)-ethyl caffeate|CAEE|3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl ester|ETHYL CAFFEATE [INCI]|SCHEMBL782032|HY-N6966A|DTXSID70876375|CHEBI:132714|(E)-ethyl 3,4-dihydroxycinnamate|HY-N6966|BDBM50029196|MFCD00045754|NSC619661|AKOS005167063|AKOS025310508|CCG-266637|CS-W019100|NSC-619661|AC-34380|AS-18100|AS-69825|Ethyl 3,4-dihydroxycinnamate, AldrichCPR|Ethyl 1-(3',4'-Dihydroxyphenyl)Propenate|CS-0181967|Ethyl (E)-3-(3,4-dihydroxyphenyl)acrylate|ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate|ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate|S5640|ethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate|Ethyl 1-(3'',4''-dihydroxyphenyl)propenate|(E)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate|Q5404446|(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.040 |
| Log Po/w (XLOGP3) : 2.560 |
| Log Po/w (WLOGP) : 1.570 |
| Log Po/w (MLOGP) : 1.300 |
| Log Po/w (SILICOS-IT) : 1.640 |
| Consensus Log Po/w : 1.820 |