7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0935 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C21 H20 O4 |
| Smiles: | CC(C)(C)C(COc1ccc2C(=CC(=O)Oc2c1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9502 |
| logD: | 3.9502 |
| logSw: | -4.2984 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.12 |
| InChI Key: | JVFQIYNBJNYETC-UHFFFAOYSA-N |