6,7,8-Trimethoxy-2,2-dimethylchromene
PubChem CID: 441969
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| Compound Synonyms | 6,7,8-trimethoxy-2,2-dimethylchromene, CHEBI:6891, Q27107352 |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8-trimethoxy-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OZQYZUMHJKYJEK-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.491 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.265 |
| Compound Name | 6,7,8-Trimethoxy-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 250.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.179289466666666 |
| Inchi | InChI=1S/C14H18O4/c1-14(2)7-6-9-8-10(15-3)12(16-4)13(17-5)11(9)18-14/h6-8H,1-5H3 |
| Smiles | CC1(C=CC2=CC(=C(C(=C2O1)OC)OC)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrostophyllum Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Aucheri (Plant) Rel Props:Source_db:cmaup_ingredients