propan-2-yl [(8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
Chemical Structure Depiction of
propan-2-yl [(8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
propan-2-yl [(8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-4462 |
| Compound Name: | propan-2-yl [(8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7'-yl)oxy]acetate |
| Molecular Weight: | 450.44 |
| Molecular Formula: | C25 H22 O8 |
| Smiles: | CC(C)OC(COc1ccc2C(=CC(=O)Oc2c1C)C1=Cc2cccc(c2OC1=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4573 |
| logD: | 3.4573 |
| logSw: | -3.6976 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.718 |
| InChI Key: | LRQBGYUFIVRNQG-UHFFFAOYSA-N |