methyl 4-[({4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-1-benzopyran-7-yl}oxy)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-1-benzopyran-7-yl}oxy)methyl]benzoate
methyl 4-[({4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-1-benzopyran-7-yl}oxy)methyl]benzoate
Compound characteristics
Compound ID: | 5976-1782 |
Compound Name: | methyl 4-[({4-oxo-3-[2-(propan-2-yl)phenoxy]-4H-1-benzopyran-7-yl}oxy)methyl]benzoate |
Molecular Weight: | 444.48 |
Molecular Formula: | C27 H24 O6 |
Smiles: | CC(C)c1ccccc1OC1=COc2cc(ccc2C1=O)OCc1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 5.8294 |
logD: | 5.8294 |
logSw: | -5.6383 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 56.058 |
InChI Key: | ZHGFXCJYYYRRQE-UHFFFAOYSA-N |