6-chloro-4-methyl-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-methyl-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-4-methyl-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0470 |
| Compound Name: | 6-chloro-4-methyl-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C19 H15 Cl O3 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2506 |
| logD: | 5.2506 |
| logSw: | -5.7491 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8785 |
| InChI Key: | IQNRYGZRNLRNOJ-UHFFFAOYSA-N |