3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,4,6-trimethylbenzoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,4,6-trimethylbenzoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,4,6-trimethylbenzoate
Compound characteristics
| Compound ID: | 4358-3753 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,4,6-trimethylbenzoate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C27 H24 O5 |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5979 |
| logD: | 6.5979 |
| logSw: | -5.7764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.034 |
| InChI Key: | ZRHWDYUSWKHMCL-UHFFFAOYSA-N |