6-chloro-3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-chloro-3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-1040 |
| Compound Name: | 6-chloro-3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 370.79 |
| Molecular Formula: | C20 H15 Cl O5 |
| Smiles: | COc1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9483 |
| logD: | 3.9483 |
| logSw: | -4.6373 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.396 |
| InChI Key: | PYGIQDKNRHLINY-UHFFFAOYSA-N |