Zingerol, (R)-
PubChem CID: 641651
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| Compound Synonyms | Zingerol, (R)-, CH4IT2XO2X, UNII-CH4IT2XO2X, 150335-45-8, Benzenepropanol, 4-hydroxy-3-methoxy-alpha-methyl-, (R)-, (R)-Zingerol, 4-[(3R)-3-hydroxybutyl]-2-methoxyphenol, EN300-2001181, Q27275459, BENZENEPROPANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-METHYL-, (R)- |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(3R)-3-hydroxybutyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C11H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GTLGHKNKLRZSMO-MRVPVSSYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.748 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.125 |
| Compound Name | Zingerol, (R)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.098968057142857 |
| Inchi | InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3/t8-/m1/s1 |
| Smiles | C[C@H](CCC1=CC(=C(C=C1)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients