1,3-Benzodioxole, 5-(2-(2,6-dimethoxy-4-(2-propenyl)phenoxy)propyl)-, (R)-
PubChem CID: 134137519
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| Compound Synonyms | 1,3-Benzodioxole, 5-[2-[2,6-dimethoxy-4-(2-propenyl)phenoxy]propyl]-, (R)-, 126223-30-1, 5-((2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl)-1,3-benzodioxole, 5-[(2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-1,3-benzodioxole, 1,3-Benzodioxole, 5-(2-(2,6-dimethoxy-4-(2-propenyl)phenoxy)propyl)-, (R)-, CHEMBL3895193, DTXSID401145990 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-1,3-benzodioxole |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C21H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWVKIBNZXPURCC-CQSZACIVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.405 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.397 |
| Compound Name | 1,3-Benzodioxole, 5-(2-(2,6-dimethoxy-4-(2-propenyl)phenoxy)propyl)-, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.082630061538462 |
| Inchi | InChI=1S/C21H24O5/c1-5-6-15-11-19(22-3)21(20(12-15)23-4)26-14(2)9-16-7-8-17-18(10-16)25-13-24-17/h5,7-8,10-12,14H,1,6,9,13H2,2-4H3/t14-/m1/s1 |
| Smiles | C[C@H](CC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3OC)CC=C)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients