3-[3-(4-bromophenyl)prop-2-enoyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-bromophenyl)prop-2-enoyl]-8-methoxy-2H-1-benzopyran-2-one
3-[3-(4-bromophenyl)prop-2-enoyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0099 |
| Compound Name: | 3-[3-(4-bromophenyl)prop-2-enoyl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 385.21 |
| Molecular Formula: | C19 H13 Br O4 |
| Smiles: | COc1cccc2C=C(C(/C=C/c3ccc(cc3)[Br])=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.4133 |
| logD: | 4.4133 |
| logSw: | -4.7149 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.45 |
| InChI Key: | VLIPJFKDJNYXAQ-UHFFFAOYSA-N |