6-(2-chloroethyl)-4-hydroxy-2,2,5,7-tetramethyl-3H-inden-1-one
PubChem CID: 46848401
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL16489159 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2-chloroethyl)-4-hydroxy-2,2,5,7-tetramethyl-3H-inden-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H19ClO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CTLHVAJHBQEARJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.227 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.0 |
| Compound Name | 6-(2-chloroethyl)-4-hydroxy-2,2,5,7-tetramethyl-3H-inden-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.107 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.107 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.76 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.015228266666666 |
| Inchi | InChI=1S/C15H19ClO2/c1-8-10(5-6-16)9(2)13(17)11-7-15(3,4)14(18)12(8)11/h17H,5-7H2,1-4H3 |
| Smiles | CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCCl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Commelina Communis (Plant) Rel Props:Source_db:cmaup_ingredients