Austrobailignan 6
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL254071 | |
| PubChem: | 10404245 | |
| IUPAC: | 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1 | |
| Standard InChI Key: | QDDILOVMGWUNGD-UONOGXRCSA-N | |
| SMILES: | COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C | |
Molecular propeties
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| AlogP: | 4.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.17 | |
| Topological polar surface area: | 47.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |