propan-2-yl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID: 11021820
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| Compound Synonyms | CHEMBL5094450, SCHEMBL21801017, SCHEMBL21801018 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propan-2-yl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VWPAUIHDJJSZAQ-AATRIKPKSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.282 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.129 |
| Compound Name | propan-2-yl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9604008105263158 |
| Inchi | InChI=1S/C14H18O5/c1-9(2)19-13(15)6-5-10-7-11(17-3)14(16)12(8-10)18-4/h5-9,16H,1-4H3/b6-5+ |
| Smiles | CC(C)OC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients