Ethanone, 1-(2,4,5-triethylphenyl)-
PubChem CID: 604908
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| Compound Synonyms | HBRKVQBUDYDXJN-UHFFFAOYSA-N, 1-(2,4,5-Triethylphenyl)ethanone #, Ethanone, 1-(2,4,5-triethylphenyl)- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4,5-triethylphenyl)ethanone |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C14H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBRKVQBUDYDXJN-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.893 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.257 |
| Compound Name | Ethanone, 1-(2,4,5-triethylphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 204.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6587405999999993 |
| Inchi | InChI=1S/C14H20O/c1-5-11-8-13(7-3)14(10(4)15)9-12(11)6-2/h8-9H,5-7H2,1-4H3 |
| Smiles | CCC1=CC(=C(C=C1CC)C(=O)C)CC |
| 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