methyl {4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y043-8482 |
| Compound Name: | methyl {4-methyl-2-oxo-7-[(pentamethylphenyl)methoxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C25 H28 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1c(C)c(C)c(C)c(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.901 |
| logD: | 5.901 |
| logSw: | -5.6305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.967 |
| InChI Key: | LJACDNPYTOSEGL-UHFFFAOYSA-N |