Ethanone, 1-(2,4,6-trimethoxyphenyl)-
PubChem CID: 123089
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| Compound Synonyms | 2',4',6'-Trimethoxyacetophenone, 832-58-6, 1-(2,4,6-Trimethoxyphenyl)ethanone, 2,4,6-Trimethoxyacetophenone, O-Methylxanthoxylin, Ethanone, 1-(2,4,6-trimethoxyphenyl)-, DTXSID10232214, 2,4,6-trimethoxyphenyl methyl ketone, 1-(2,4,6-trimethoxyphenyl)ethan-1-one, MFCD00017238, 2,4,6-TRIMETHOXY ACETOPHENONE, Cambridge id 5135317, SCHEMBL2029772, CHEMBL4462275, DTXCID10154705, Phloroacetophenone trimethyl ether, ALBB-031659, AKOS015851698, FP71147, 1-(2,4,6-Trimethoxy-phenyl)-ethanone, 1-(2,4,6-Trimethoxyphenyl)ethanone #, 2',4',6'-Trimethoxyacetophenone, 97%, BS-17565, DB-056702, CS-0017325, D70100, SR-01000196551, SR-01000196551-1, Q63409322, 2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-Trimethoxyacetophenone, 627-319-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acyl phloroglucinols |
| Deep Smiles | COcccOC))ccc6C=O)C)))OC |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4,6-trimethoxyphenyl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KPZWHZSIXZXDMW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,4,6-trimethoxyacetophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | Ethanone, 1-(2,4,6-trimethoxyphenyl)- |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| 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/C11H14O4/c1-7(12)11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3 |
| Smiles | CC(=O)C1=C(C=C(C=C1OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phloroglucinols |
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