chempirical

6-Acetyltetralin

C12H14OCAS 774-55-0174.24 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H14O
Molar mass
174.24 g/mol
Exact mass
174.1045 Da
Boiling point
167–169 °C (at 8 Torr)
logP
2.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
774-55-0
SMILES
CC(=O)c1ccc2c(c1)CCCC2
InChIKey
VEPUKHYQNXSSKV-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-
  • 2′-Acetonaphthone, 5′,6′,7′,8′-tetrahydro-
  • 1-(5,6,7,8-Tetrahydro-2-naphthalenyl)ethanone
  • 6-Acetyl-1,2,3,4-tetrahydronaphthalene
  • 5,6,7,8-Tetrahydronaphth-2-yl methyl ketone
  • 1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethanone
  • NSC 5179
  • 2-Acetyl-5,6,7,8-tetrahydronaphthalene
  • Floranton
  • 1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethan-1-one
  • (1,2,3,4-Tetrahydronaphthalen-6-yl)ethan-1-one

Work with 6-Acetyltetralin

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

5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-158 % similar 1,4-Diacetylbenzene1009-61-652 % similar 1-(4-Pentylphenyl)ethanone37593-02-551 % similar 2-Acetyl-9H-fluorene781-73-751 % similar P-Octylacetophenone10541-56-750 % similar 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-050 % similar 1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone24085-06-150 % similar 1-(4-Hexylphenyl)ethanone37592-72-650 % similar

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

Same formula

3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-5 2-Phenylcyclohexanone1444-65-1 4-Methyl-2-phenyl-2-pentenal26643-91-4 2-Benzylcyclopentanone2867-63-2 2-Butylbenzofuran4265-27-4 4-Phenylcyclohexanone4894-75-1 Cyclopentyl phenyl ketone5422-88-8

Elsewhere

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