1-[4-Hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]ethanone
PubChem CID: 85986858
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OWQBRGORYSHPCB-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.941 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.441 |
| Compound Name | 1-[4-Hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]ethanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 234.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2743054705882346 |
| Inchi | InChI=1S/C14H18O3/c1-9(2)5-6-11-7-12(10(3)15)8-13(17-4)14(11)16/h5,7-8,16H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C(=O)C)OC)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients