6-(2-Hydroxyethyl)-2,5,7-trimethylinden-1-one
PubChem CID: 15674624
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL9095227 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2-hydroxyethyl)-2,5,7-trimethylinden-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LLPPZAOWAGVIIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.866 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.529 |
| Compound Name | 6-(2-Hydroxyethyl)-2,5,7-trimethylinden-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.970735999999999 |
| Inchi | InChI=1S/C14H16O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6-7,15H,4-5H2,1-3H3 |
| Smiles | CC1=CC2=C(C(=C1CCO)C)C(=O)C(=C2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Karakolicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Coriaria Myrtifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pteris Multifida (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Swietenia Mahagoni (Plant) Rel Props:Source_db:cmaup_ingredients