[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetic acid
Chemical Structure Depiction of
[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetic acid
[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetic acid
Compound characteristics
| Compound ID: | D715-2467 |
| Compound Name: | [(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetic acid |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C24 H24 O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7397 |
| logD: | 0.5028 |
| logSw: | -4.7988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.875 |
| InChI Key: | WMISHHFZYXLWNF-UHFFFAOYSA-N |