3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-1-benzopyran-4-one
3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5490-0091 |
| Compound Name: | 3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C27 H30 O4 |
| Smiles: | Cc1ccc2c(c1)C(C(/C=C/C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)=O)=CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1892 |
| logD: | 6.165 |
| logSw: | -5.3619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.586 |
| InChI Key: | SBEFTJPBLSOQBB-UHFFFAOYSA-N |