4'-Hydroxy-3',5'-dimethylacetophenone
PubChem CID: 36581
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| Compound Synonyms | 5325-04-2, 3,5-Dimethyl-4-hydroxyacetophenone, 4'-Hydroxy-3',5'-dimethylacetophenone, 1-(4-hydroxy-3,5-dimethylphenyl)ethanone, 3',5'-Dimethyl-4'-hydroxyacetophenone, 1-(4-hydroxy-3,5-dimethylphenyl)ethan-1-one, MFCD00195574, Ethanone, 1-(4-hydroxy-3,5-dimethylphenyl)-, NSC-109, 4 inverted exclamation marka-Hydroxy-3 inverted exclamation marka,5 inverted exclamation marka-dimethylacetophenone, 2,6-dimethyl-4-acetylphenol, 4-acetyl-2,6-dimethylphenol, NSC109, SEH7JYU4DM, SCHEMBL1644952, DTXSID10275388, 3,5-dimethyl4-hydroxyacetophenone, MUWPKXVVEOGKNO-UHFFFAOYSA-N, 3,5-dimethyl-4-hydroxy acetophenone, AKOS000299722, FD70370, acetophenone, 4-hydroxy-3,5-dimethyl-, PS-11678, SY292837, Acetophenone, 4'-hydroxy-3',5'-dimethyl-, CS-0108688, 4'-Hydroxy-3',5'-dimethylacetophenone, 97%, E77602, EN300-331498, 4 inverted exclamation mark -Hydroxy-3 inverted exclamation mark ,5 inverted exclamation mark -dimethylacetophenone, 628-048-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CC=O)cccC)ccc6)C))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3,5-dimethylphenyl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MUWPKXVVEOGKNO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-hydroxy-3,5-dimethylacetophenone |
| Esol Class | Very soluble |
| Functional Groups | cC(C)=O, cO |
| Compound Name | 4'-Hydroxy-3',5'-dimethylacetophenone |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3 |
| Smiles | CC1=CC(=CC(=C1O)C)C(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279