4,2',4',6'-Tetrahydroxychalcone
Representations & DB's id
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| ChEBI: | CHEBI:15413 | |
|---|---|---|
| ChEMBL: | CHEMBL338066 | |
| PubChem: | 5280960 | |
| IUPAC: | (E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+ | |
| Standard InChI Key: | YQHMWTPYORBCMF-ZZXKWVIFSA-N | |
| SMILES: | Oc1ccc(cc1)/C=C/C(=O)c1c(O)cc(cc1O)O | |
Molecular propeties
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| AlogP: | 2.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 272.07 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |