Mesodihydroguaiaretic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:68169 | |
|---|---|---|
| ChEMBL: | CHEMBL430464 | |
| PubChem: | 476856 | |
| IUPAC: | 4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+ | |
| Standard InChI Key: | ADFOLUXMYYCTRR-OKILXGFUSA-N | |
| SMILES: | COc1cc(ccc1O)C[C@H]([C@H](Cc1ccc(c(c1)OC)O)C)C | |
Molecular propeties
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| AlogP: | 4.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 330.18 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |