(2,6-dimethoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate
PubChem CID: 5316677
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| Topological Polar Surface Area | 44.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,6-dimethoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UHRREUFGFZFYBI-VAWYXSNFSA-N |
| Fcsp3 | 0.15 |
| Logs | -5.697 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.827 |
| Compound Name | (2,6-dimethoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.6982311999999995 |
| Inchi | InChI=1S/C20H20O4/c1-4-8-16-13-17(22-2)20(18(14-16)23-3)24-19(21)12-11-15-9-6-5-7-10-15/h4-7,9-14H,1,8H2,2-3H3/b12-11+ |
| Smiles | COC1=CC(=CC(=C1OC(=O)/C=C/C2=CC=CC=C2)OC)CC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Difengpi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients