Isoformonentin
Representations & DB's id
| ||
| ChEBI: | CHEBI:29608 | |
|---|---|---|
| ChEMBL: | CHEMBL453280 | |
| PubChem: | 3764 | |
| IUPAC: | 3-(4-hydroxyphenyl)-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3 | |
| Standard InChI Key: | LNIQZRIHAMVRJA-UHFFFAOYSA-N | |
| SMILES: | COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O | |
Molecular propeties
| ||
| AlogP: | 3.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 268.07 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |