[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate
PubChem CID: 10850064
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4172748 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LSWIQAFXJMEWTA-PRIXGWFASA-N |
| Fcsp3 | 0.3125 |
| Logs | -3.076 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.148 |
| Compound Name | [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 276.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4489583999999995 |
| Inchi | InChI=1S/C16H20O4/c1-5-12(2)16(17)20-10-6-7-13-8-9-14(18-3)15(11-13)19-4/h5-9,11H,10H2,1-4H3/b7-6+,12-5- |
| Smiles | C/C=C(/C)\C(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Fruticosum (Plant) Rel Props:Source_db:cmaup_ingredients