5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One
Representations & DB's id
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| ChEBI: | CHEBI:50202 | |
|---|---|---|
| ChEMBL: | CHEMBL32571 | |
| PubChem: | 932 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 | |
| Standard InChI Key: | FTVWIRXFELQLPI-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O | |
Molecular propeties
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| AlogP: | 2.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 272.07 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |