9-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Chemical Structure Depiction of
9-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
9-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
Compound characteristics
| Compound ID: | 3509-0047 |
| Compound Name: | 9-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one |
| Molecular Weight: | 362.42 |
| Molecular Formula: | C23 H22 O4 |
| Smiles: | CC1(C)CC2=C(C(CC(c3ccc(cc3)O)=O)c3ccccc3O2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6533 |
| logD: | 3.5607 |
| logSw: | -4.0679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.953 |
| InChI Key: | MGJUOHMAFACQFM-KRWDZBQOSA-N |