Butein
Representations & DB's id
| ||
| ChEBI: | CHEBI:3237 | |
|---|---|---|
| ChEMBL: | CHEMBL128000 | |
| PubChem: | 5281222 | |
| IUPAC: | (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ | |
| Standard InChI Key: | AYMYWHCQALZEGT-ORCRQEGFSA-N | |
| SMILES: | Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| 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 | |