4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-(4-methylphenoxy)butanoate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-(4-methylphenoxy)butanoate
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-(4-methylphenoxy)butanoate
Compound characteristics
| Compound ID: | 4358-3428 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-(4-methylphenoxy)butanoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(CCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0242 |
| logD: | 4.0242 |
| logSw: | -4.1994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.846 |
| InChI Key: | FMLGAWKIDWOPAK-UHFFFAOYSA-N |