3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 2188-2784 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C19 H18 O4 |
| Smiles: | Cc1ccc(c(c1)C(/C=C/c1ccc2c(c1)OCCCO2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.0672 |
| logD: | 4.054 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.916 |
| InChI Key: | SVROXXYUUPPUDJ-UHFFFAOYSA-N |