4-Isopropylacetophenone
PubChem CID: 12578
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| Compound Synonyms | 4'-Isopropylacetophenone, 645-13-6, 4-ISOPROPYLACETOPHENONE, Cuminone, p-Isopropylacetophenone, Ethanone, 1-[4-(1-methylethyl)phenyl]-, 1-(4-Isopropylphenyl)ethanone, Acetophenone, 4'-isopropyl-, Methyl p-isopropylphenyl ketone, Acetylcumene, p-, FEMA No. 2927, p-Acetylcumene, 1-(4-propan-2-ylphenyl)ethanone, Isopropylacetylbenzene, p-, MFCD00048297, 1-(4-(1-Methylethyl)phenyl)ethanone, 742ZKZ2A6D, 1-[4-(propan-2-yl)phenyl]ethan-1-one, 1-(4-(1-Methylethyl)phenyl)ethan-1-one, 1-[4-(1-Methylethyl)phenyl]ethan-1-one, Ethanone, 1-(4-(1-methylethyl)phenyl)-, p-Isopropylacetylbenzene, NSC 9165, NSC-9165, EINECS 211-433-1, (4-Isopropylphenyl)ethanone, AI3-15527, P-ISOPROPYL ACETOPHENONE, DTXSID0052330, 1-[4-(propan-2-yl)phenyl]ethanone, P-ISOPROPYLACETOPHENONE [FHFI], 1-(4-Isopropylphenyl)ethanone (4-Isopropylacetophenone), 1-[4-(1-methylethyl)phenyl]Ethanone, 1-(4-(1-Methylethyl)phenyl)-Ethanone, 1-[4-(1-Methylethyl)phenyl]-Ethanone, 1-(4-(propan-2-yl)phenyl)ethan-1-one, 1-(4-Isopropylphenyl)ethanone, 4-Isopropylacetophenone, UNII-742ZKZ2A6D, NSC9165, 4-isopropylacetophenon, Methyl p-cumyl ketone, p-iso-propylacetophenone, 4\'-Isopropylacetophenone, 4'-Isopropyl-Acetophenone, 4(2)-Isopropylacetophenone, (4-iso-propylphenyl)ethanone, SCHEMBL182327, DTXCID0030902, FEMA 2927, 1-(4-isopropyl-phenyl)-ethanone, 1-(4-Isopropylphenyl)ethanone #, AAA64513, Acetophenone, 4'-isopropyl-(8CI), STR06928, STK397403, 4'-Isopropylacetophenone, AldrichCPR, Acetophenone, 4'-isopropyl- (8CI), AKOS000296233, PS-4575, Ethanone, 1-4-(1-methylethyl)phenyl-, SY012990, DB-073506, 1-[4-(1-Methylethyl)phenyl]ethanone, 9CI, I0570, NS00008450, EN300-07967, H11892, 4 inverted exclamation mark -Isopropylacetophenone, SR-01000944848, SR-01000944848-1, Q27266227, Z56963407, F0001-1746, 1-[4-(Prop-2-yl)phenyl]ethan-1-one, 4'-(Prop-2-yl)acetophenone, 211-433-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCcccccc6))C=O)C))))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-propan-2-ylphenyl)ethanone |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PDLCCNYKIIUWHA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | (4-Isopropylphenyl)ethanone, 1-(4-(1-Methylethyl)phenyl)-ethanone, 1-(4-(1-Methylethyl)phenyl)ethan-1-one, 1-(4-(1-Methylethyl)phenyl)ethanone, 1-(4-Isopropylphenyl)ethanone, 1-[4-(1-Methylethyl)phenyl]-ethanone, 1-[4-(1-Methylethyl)phenyl]ethanone, 9CI, 1-[4-(propan-2-yl)phenyl]ethanone, 4-Isopropylacetophenone, 4'-Isopropyl-acetophenone, Acetophenone, 4'-isopropyl-, Acetophenone, 4'-isopropyl- (8CI), Acetylcumene, p-, Cuminone, Ethanone, 1-(4-(1-methylethyl)phenyl)-, Ethanone, 1-[4-(1-methylethyl)phenyl]-, FEMA 2927, Isopropylacetylbenzene, p-, Methyl p-cumyl ketone, Methyl p-isopropylphenyl ketone, p-Acetylcumene, P-isopropylacetophenone, P-Isopropylacetylbenzene, 1-[4-(1-Methylethyl)phenyl]ethanone, 9ci, 1-[4-(Propan-2-yl)phenyl]ethanone, Acetophenone, 4'-isopropyl- (8ci), Methyl P-cumyl ketone, Methyl P-isopropylphenyl ketone, P-Acetylcumene, P-Isopropylacetophenone, 4-isopropylacetophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O |
| Compound Name | 4-Isopropylacetophenone |
| Kingdom | Organic compounds |
| Exact Mass | 162.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 162.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3 |
| Smiles | CC(C)C1=CC=C(C=C1)C(=O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkyl-phenylketones |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<15::aid-ffj604>3.0.co;2-5