Osthole
Representations & DB's id
| ||
| ChEBI: | CHEBI:69832 | |
|---|---|---|
| ChEMBL: | CHEMBL52229 | |
| PubChem: | 10228 | |
| IUPAC: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one | |
| Standard InChI: | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 | |
| Standard InChI Key: | MBRLOUHOWLUMFF-UHFFFAOYSA-N | |
| SMILES: | COc1ccc2c(c1CC=C(C)C)oc(=O)cc2 | |
Molecular propeties
| ||
| AlogP: | 3.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 244.11 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.267 | |
| Number of carbons: | 15 | |