2,2-Dimethyl-3,4-dihydrochromene-4,6-diol
PubChem CID: 5317868
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| Compound Synonyms | Gynunol, 2,2-dimethyl-3,4-dihydrochromene-4,6-diol, SCHEMBL7608955 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyl-3,4-dihydrochromene-4,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAIKLSOPCIZDKK-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.295 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.67 |
| Compound Name | 2,2-Dimethyl-3,4-dihydrochromene-4,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.268568857142857 |
| Inchi | InChI=1S/C11H14O3/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,12-13H,6H2,1-2H3 |
| Smiles | CC1(CC(C2=C(O1)C=CC(=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gynocardia Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gynura Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients