1,3-dimethoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene
PubChem CID: 18546438
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL6228547, CHEMBL5405708 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C21H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NNMRGAKKWWIQTM-VAWYXSNFSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -6.165 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.362 |
| Compound Name | 1,3-dimethoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.560097156521739 |
| Inchi | InChI=1S/C21H24O2/c1-16(2)10-13-19-20(22-3)14-18(15-21(19)23-4)12-11-17-8-6-5-7-9-17/h5-12,14-15H,13H2,1-4H3/b12-11+ |
| Smiles | CC(=CCC1=C(C=C(C=C1OC)/C=C/C2=CC=CC=C2)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemone Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients