2'-Hydroxy-4',5'-dimethylacetophenone
PubChem CID: 118976
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| Compound Synonyms | 36436-65-4, 2'-Hydroxy-4',5'-dimethylacetophenone, 1-(2-Hydroxy-4,5-dimethylphenyl)ethanone, 1-(2-hydroxy-4,5-dimethylphenyl)ethan-1-one, 4',5'-Dimethyl-2'-hydroxyacetophenone, Ethanone, 1-(2-hydroxy-4,5-dimethylphenyl)-, 2-Hydroxy-4,5-dimethylacetophenone, 4'5'-Dimethyl-2'-hydroxyacetophenone, MFCD00002306, EINECS 253-035-0, Acetophenone, 2'-hydroxy-4',5'-dimethyl-, DTXSID70189957, 2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark pound not5 inverted exclamation mark -dimethylacetophenone, 2-Acetyl-4,5-dimethylphenol, Z7GF7D6YH6, SCHEMBL471442, F1423-2253, DTXCID30112448, BCP26976, STK827933, AKOS000273718, CS-W001546, FH24249, FS-1298, s10961, NCGC00340866-01, SY010683, 1-(4,5-Dimethyl-2-hydroxyphenyl)ethanone, DB-013203, D4812, NS00030043, 1-(2-Hydroxy-4,5-dimethylphenyl)ethanone #, AB01333621-02, 1-(2-hydroxy-4 pound not5-dimethylphenyl)ethanone, Z57784029, 1-(2-Hydroxy-4,5-dimethylphenyl)ethanone, 2-Acetyl-4,5-dimethylphenol, 4',5'-Dimethyl-2'-hydroxyacetophenone, 2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark ,5 inverted exclamation mark -dimethylacetophenone, 253-035-0 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H12O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.758 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.576 |
| Compound Name | 2'-Hydroxy-4',5'-dimethylacetophenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7559648 |
| Inchi | InChI=1S/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3 |
| Smiles | CC1=CC(=C(C=C1C)O)C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients