Epoxyconiferyl Alcohol
PubChem CID: 57403796
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Epoxyconiferyl Alcohol, CHEMBL1933705, 3-(4-hydroxy-3-methoxyphenyl)oxiranemethanol |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-(hydroxymethyl)oxiran-2-yl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DZDKPIKBVMNBEA-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.727 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.425 |
| Compound Name | Epoxyconiferyl Alcohol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.414995257142857 |
| Inchi | InChI=1S/C10H12O4/c1-13-8-4-6(2-3-7(8)12)10-9(5-11)14-10/h2-4,9-12H,5H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C2C(O2)CO)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all