2-Methoxyacetophenone
PubChem CID: 68481
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| Compound Synonyms | 2'-Methoxyacetophenone, 579-74-8, 1-(2-Methoxyphenyl)ethanone, 2-Acetylanisole, Ethanone, 1-(2-methoxyphenyl)-, o-Methoxyacetophenone, o-Acetylanisole, 1-(2-Methoxyphenyl)ethan-1-one, o-Acetanisole, 2-Methyoxyacetophenone oxime, 2-Acetoanisole, ortho-Methoxyacetophenone, MFCD00008725, Acetophenone, 2'-methoxy-, UNII-0WYN389I4N, 2-Methoxyacetylbenzene, o-Methoxy acetophenone, EINECS 209-446-2, NSC 23387, NSC-23387, 1-(2-methoxyphenyl)-ethanone, AI3-05503, 0WYN389I4N, 1-(2-methoxy-phenyl)-ethanone, ACETOPHENONE, O-METHOXY-, DTXSID8060375, FEMA NO. 4163, 2-METHOXY-1-ACETYLBENZENE, 2-METHOXYACETOPHENONE [FHFI], 2-METHOXYPHENYL METHYL KETONE, 2'-Methoxyacetophenone, 99%, 2-ACETANISOLE, NSC26912, a-methoxyacetophenone, 2'methoxyacetophenone, -Methoxy acetophenone, o-methoxy-acetophenone, 2'-methoxy acetophenone, 2'-methoxy-acetophenone, (2'-methoxy)acetophenone, SCHEMBL54071, 1-(2-Methoxyphenyl)ethanone #, CHEMBL5280089, DTXCID1042281, DTXCID30116269, 2- METHOXY ACETYL BENZENE, Acetophenone, 2'-methoxy- (8CI), NSC23387, NSC-26912, STL195455, AKOS000118952, CS-W016325, FM71392, AS-47997, SY036008, DB-021287, M1445, NS00022412, EN300-16199, 2 inverted exclamation marka-Methoxyacetophenone, F17510, 2 inverted exclamation mark -Methoxyacetophenone, Q63392742, F0001-1509, 223-802-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6C=O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methoxyphenyl)ethanone |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | -Methoxy acetophenone, 1-(2-Methoxyphenyl)-ethanone, 1-(2-Methoxyphenyl)ethan-1-one, 1-(2-Methoxyphenyl)ethanone, 2'-Methoxy-acetophenone, 2- METHOXY acetyl benzene, 2-Acetylanisole, 2-Methoxyacetophenone, 2-Methyoxyacetophenone oxime, Acetophenone, 2'-methoxy- (8ci), O-Acetanisole, O-Acetylanisole, O-Methoxyacetophenone, Ortho-methoxyacetophenone, 2'-Methoxyacetophenone, o-acetanisole, o-methoxyacetophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | 2-Methoxyacetophenone |
| Kingdom | Organic compounds |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| 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/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3 |
| Smiles | CC(=O)C1=CC=CC=C1OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1456363 - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1456363 - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050305