chempirical

2-Acetyl-1-tetralone

C12H12O2CAS 17216-08-9188.23 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C12H12O2
Molar mass
188.23 g/mol
Exact mass
188.0837 Da
Melting point
56 °C
logP
2.02Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17216-08-9
SMILES
CC(=O)C1CCc2ccccc2C1=O
InChIKey
BSELJBOMYPMBNL-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1(2H)-Naphthalenone, 2-acetyl-3,4-dihydro-
  • 2′-Acetonaphthone, 1′,2′,3′,4′-tetrahydro-1′-oxo-
  • 2-Acetyl-3,4-dihydro-1(2H)-naphthalenone
  • 2-Acetyltetralone
  • 2-Acetyl-1,2,3,4-tetrahydronaphthalen-1-one
  • 2-Acetyl-3,4-dihydro-2H-naphthalen-1-one

Work with 2-Acetyl-1-tetralone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1-tetralone1590-08-559 % similar 2-Bromo-1-indanone1775-27-544 % similar Dibenzosuberone1210-35-142 % similar 1-Indanone83-33-039 % similar 1-Tetralone529-34-038 % similar 3-Phenyl-2,4-pentanedione5910-25-837 % similar 1,1-Diphenylacetone781-35-137 % similar 3,4-Dihydroisocoumarin4702-34-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Dimethoxynaphthalene10075-62-4 Allyl cinnamate1866-31-5 2,3-Bis(hydroxymethyl)naphthalene31554-15-1 2,7-Dimethoxynaphthalene3469-26-9 1,6-Dimethoxynaphthalene3900-49-0 3-(Phenylmethylene)-2,4-pentanedione4335-90-4 5-Phenylcyclohexane-1,3-dione493-72-1 2,6-Dimethoxynaphthalene5486-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook