7-methoxy-6-[(1R)-1-methoxyethyl]-2,2-dimethylchromene
PubChem CID: 162953649
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 7-methoxy-6-[(1R)-1-methoxyethyl]-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KIDINSSIUWCEBX-SNVBAGLBSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.234 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.357 |
| Compound Name | 7-methoxy-6-[(1R)-1-methoxyethyl]-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2363630666666663 |
| Inchi | InChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3/t10-/m1/s1 |
| Smiles | C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Pereirae (Plant) Rel Props:Source_db:cmaup_ingredients