3-[3-(4-bromophenyl)prop-2-enoyl]-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-bromophenyl)prop-2-enoyl]-8-ethoxy-2H-1-benzopyran-2-one
3-[3-(4-bromophenyl)prop-2-enoyl]-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0419 |
| Compound Name: | 3-[3-(4-bromophenyl)prop-2-enoyl]-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.24 |
| Molecular Formula: | C20 H15 Br O4 |
| Smiles: | CCOc1cccc2C=C(C(/C=C/c3ccc(cc3)[Br])=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9307 |
| logD: | 4.9307 |
| logSw: | -4.711 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.03 |
| InChI Key: | MLEHMXQTRMJUKY-UHFFFAOYSA-N |