methyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
Chemical Structure Depiction of
methyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
methyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate
Compound characteristics
| Compound ID: | 4182-0313 |
| Compound Name: | methyl [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0281 |
| logD: | 4.0281 |
| logSw: | -4.4457 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | VCKXIDBLMJYQBF-UHFFFAOYSA-N |