6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Chemical Structure Depiction of
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | Y040-7591 |
| Compound Name: | 6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 3-methoxybenzoate |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C24 H25 Cl O5 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OC(c1cccc(c1)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.0014 |
| logD: | 7.0014 |
| logSw: | -6.3593 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.168 |
| InChI Key: | XMXZLUCJYHXRNB-UHFFFAOYSA-N |