3-[3-(2,4-dimethylphenyl)prop-2-enoyl]-4-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2,4-dimethylphenyl)prop-2-enoyl]-4-hydroxy-2H-1-benzopyran-2-one
3-[3-(2,4-dimethylphenyl)prop-2-enoyl]-4-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K815-0041 |
| Compound Name: | 3-[3-(2,4-dimethylphenyl)prop-2-enoyl]-4-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C20 H16 O4 |
| Smiles: | Cc1ccc(/C=C/C(C2=C(c3ccccc3OC2=O)O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9044 |
| logD: | -0.9785 |
| logSw: | -3.9714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.207 |
| InChI Key: | JBLKRIPBHJMIER-UHFFFAOYSA-N |