7'-(3,3-dimethyl-2-oxobutoxy)-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
7'-(3,3-dimethyl-2-oxobutoxy)-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
7'-(3,3-dimethyl-2-oxobutoxy)-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | Y040-4473 |
| Compound Name: | 7'-(3,3-dimethyl-2-oxobutoxy)-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C25 H22 O7 |
| Smiles: | CC(C)(C)C(COc1ccc2C(=CC(=O)Oc2c1)C1=Cc2cccc(c2OC1=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7605 |
| logD: | 3.7605 |
| logSw: | -4.2252 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.357 |
| InChI Key: | BPWQLTNTIHBJLY-UHFFFAOYSA-N |