1-Hydroxy-2-acetylnaphthalene
PubChem CID: 69733
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| Compound Synonyms | 711-79-5, 1'-Hydroxy-2'-acetonaphthone, 2-Acetyl-1-naphthol, 1-Hydroxy-2-acetylnaphthalene, 1-(1-hydroxynaphthalen-2-yl)ethanone, 2-Acetyl-1-hydroxynaphthalene, 1-Hydroxy-2-acetonaphthone, Ethanone, 1-(1-hydroxy-2-naphthalenyl)-, 1-(1-Hydroxy-naphthalen-2-yl)-ethanone, 1-(1-hydroxynaphthalen-2-yl)ethan-1-one, 2'-Acetonaphthone, 1'-hydroxy-, 1-(1-Hydroxy-2-naphthalenyl)ethanone, 2-Aceto-1-naphthol, 1-(1-Hydroxy-2-naphthyl)ethanone, 1-Hydroxy-2-naphthyl methyl ketone, MFCD00003963, 3',4'-Benzo-2'-hydroxyacetophenone, 2-Acetyl-1-naphthalenol, NSC 4973, N3BKY69086, NSC-4973, EINECS 211-918-8, AI3-00856, DTXSID4061044, 1'-HYDROXY-2-ACETONAPTHONE, 2-ACETONAPHTHONE, 1-HYDROXY-, UNII-N3BKY69086, NSC4973, Ethanone,1-(1-hydroxy-2-naphthalenyl)-, alpha-Hydroxyacetonaphthone, 1-Hydroxy-2-acetonaphthalene, SCHEMBL431650, CHEMBL569194, DTXCID1046895, 1-(1-Hydroxy-2-naphthyl) Ethanone, BBL012750, STK070535, 1'-Hydroxy-2'-acetonaphthone, 99%, 1-(1-Hydroxy-2-naphthyl)ethanone #, AKOS000119758, methyl (1-hydroxy-2-naphthyl) ketone, FH70887, 2'-Acetonaphthone, 1'-hydroxy-(8CI), SY045973, VS-03495, DB-055504, CS-0146228, H0935, NS00037169, EN300-21457, D70322, Q27284501, Z104497876, 211-918-8 |
|---|---|
| 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 | C1CCC2CCCCC2C1 |
| Np Classifier Class | Naphthalenes and derivatives |
| Deep Smiles | CC=O)cccccc6O))cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Naphthols and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-hydroxynaphthalen-2-yl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10O2 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | JBGJVMVWYWUVOW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-acetyl-1-naphthol |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO |
| Compound Name | 1-Hydroxy-2-acetylnaphthalene |
| Exact Mass | 186.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.21 |
| 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/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3 |
| Smiles | CC(=O)C1=C(C2=CC=CC=C2C=C1)O |
| Np Classifier Biosynthetic Pathway | Polyketides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
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