1-Acetonaphthone
PubChem CID: 13663
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| Compound Synonyms | 1'-Acetonaphthone, 941-98-0, 1-Acetylnaphthalene, 1-Acetonaphthone, Methyl 1-naphthyl ketone, 1-Acetonaphthalene, 1-(naphthalen-1-yl)ethanone, Ethanone, 1-(1-naphthalenyl)-, 1-(1-Naphthalenyl)ethanone, 1-Naphthyl methyl ketone, 1-naphthalen-1-ylethanone, alpha-Acetonaphthone, alpha-Acetylnaphthalene, alpha-Naphthyl methyl ketone, 1-(1-Naphthyl)ethanone, Methyl alpha-naphthyl ketone, NSC 7659, Ethanone, 1-(naphthalenyl)-, 1-(naphthalen-1-yl)ethan-1-one, EINECS 213-384-1, 1`-Acetonaphthone, MFCD00004013, BRN 1100618, U44R403XVS, .alpha.-Acetonaphthone, AI3-00673, NSC-7659, .alpha.-Acetylnaphthalene, LIQUID U-80, 1-naphthalen-1-yl-ethanone, alpha-Methyl naphthyl ketone, .alpha.-Naphthyl methyl ketone, Methyl .alpha.-naphthyl ketone, DTXSID4052635, 4-07-00-01292 (Beilstein Handbook Reference), UNII-U44R403XVS, 1-Acetonaphtone, Acetyl naphthalene, methylnaphthylketone, 1\'-Acetonaphthone, 1'-Acetylnaphthalene, 1-Acetonaphthone, 97%, 1-(1-Naphthyl)ethanone #, SCHEMBL50651, ghl.PD_Mitscher_leg0.724, 1-(naphthalen-4-yl)ethanone, .alpha.-Methyl naphthyl ketone, 1-ACETONAPHTHONE [INCI], DTXCID1031208, Monomethylnaphthalene Formaldehyde, NSC7659, HY-I0717, STR04053, STL183335, 1-Acetonaphthone, analytical standard, AKOS000118730, CS-W020048, FS-3189, SY013630, DB-287152, A0052, A1044, NS00012937, EN300-19188, D70015, Q27290663, F0001-2262, Z104473080, 213-384-1 |
|---|---|
| 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 | C1CCC2CCCCC2C1 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | CC=O)cccccc6cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-naphthalen-1-ylethanone |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10O |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | QQLIGMASAVJVON-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-aceto-napthone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O |
| Compound Name | 1-Acetonaphthone |
| Exact Mass | 170.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 170.21 |
| 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/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3 |
| Smiles | CC(=O)C1=CC=CC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279