Licocoumarone
Representations & DB's id
| ||
| ChEBI: | CHEBI:69098 | |
|---|---|---|
| ChEMBL: | CHEMBL611368 | |
| PubChem: | 503731 | |
| IUPAC: | 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3 | |
| Standard InChI Key: | CNPMAFLUEHEXRE-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(O)cc2c1cc(o2)c1ccc(cc1O)O | |
Molecular propeties
| ||
| AlogP: | 4.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 340.13 | |
| Topological polar surface area: | 83.1 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 20 | |