5-Hydroxy-2-[2-(2-Hydroxyphenyl)Ethyl]Chromone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479684 | |
| PubChem: | 11822089 | |
| IUPAC: | 5-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O4/c18-13-5-2-1-4-11(13)8-9-12-10-15(20)17-14(19)6-3-7-16(17)21-12/h1-7,10,18-19H,8-9H2 | |
| Standard InChI Key: | VJJIYNCAKZLESG-UHFFFAOYSA-N | |
| SMILES: | Oc1ccccc1CCc1cc(=O)c2c(o1)cccc2O | |
Molecular propeties
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| AlogP: | 2.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 282.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |