6,8-Dimethoxy-2,2-dimethylchromene
PubChem CID: 85975375
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dimethoxy-2,2-dimethylchromene |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C13H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LEOLHPAUQLNHLR-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -4.038 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.494 |
| Compound Name | 6,8-Dimethoxy-2,2-dimethylchromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 220.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1088615999999996 |
| Inchi | InChI=1S/C13H16O3/c1-13(2)6-5-9-7-10(14-3)8-11(15-4)12(9)16-13/h5-8H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)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