P-Hydroxyphenethyl Trans-Ferulate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL481245 | |
| PubChem: | 637308 | |
| IUPAC: | 2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+ | |
| Standard InChI Key: | JMSFLLZUCIXALN-WEVVVXLNSA-N | |
| SMILES: | COc1cc(/C=C/C(=O)OCCc2ccc(cc2)O)ccc1O | |
Molecular propeties
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| AlogP: | 2.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 314.12 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |