6-chloro-3-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-chloro-3-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0332 |
| Compound Name: | 6-chloro-3-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.81 |
| Molecular Formula: | C21 H17 Cl O6 |
| Smiles: | COc1cc(c(cc1/C=C/C(C1=Cc2cc(ccc2OC1=O)[Cl])=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5605 |
| logD: | 3.5605 |
| logSw: | -3.8454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.027 |
| InChI Key: | MGUOUABJBSHTAT-UHFFFAOYSA-N |