4-butyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-methyl-2H-1-benzopyran-2-one
4-butyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2161 |
| Compound Name: | 4-butyl-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C22 H21 Cl O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.9328 |
| logD: | 5.9328 |
| logSw: | -5.9842 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.76 |
| InChI Key: | BIXGQXNMIAHWPN-UHFFFAOYSA-N |