Domino reactions of chromones with activated carbonyl compounds
Peter Langer
Beilstein J. Org. Chem. 2024, 20, 1256–1269.
https://doi.org/10.3762/bjoc.20.108
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C19H13F5O7 |
| Molecular Weight | 448.30 g/mol |
| Exact Mass | 448.0581 Da |
| InChI |
InChI=1S/C19H13F5O7/c1-29-15(26)9-7-10-12(13(14(9)25)16(27)30-2)8-5-3-4-6-11(8)31-17(10,28)18(20,21)19(22,23)24/h3-7,25,28H,1-2H3
|
| InChIKey |
BNYOHXIZHNWPAL-UHFFFAOYSA-N
|
| SMILES |
COC(=O)C1=C(C(=C2C3=CC=CC=C3OC(C2=C1)(C(C(F)(F)F)(F)F)O)C(=O)OC)O
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 20 |
| XLogP | 3.5 |