1-(5-Hydroxy-2,2-Dimethylchromen-6-Yl)-3-(4-Hydroxyphenyl)Propan-1-One
PubChem CID: 9973521
Connections displayed (default: 10).
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| Compound Synonyms | 1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-hydroxyphenyl)propan-1-one, CHEMBL185018, 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propan-1-one, 1-(5-hydroxy-2,2-dimethyl-2 h -chromen-6-yl)-3-(4-hydroxyphenyl)propan-1-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHFVJSQVKWDKGD-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.558 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.992 |
| Compound Name | 1-(5-Hydroxy-2,2-Dimethylchromen-6-Yl)-3-(4-Hydroxyphenyl)Propan-1-One |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.640931199999999 |
| Inchi | InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-4,6-8,10-12,21,23H,5,9H2,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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