chempirical

3,4-Dihydro-1-methyl-2(1H)-naphthalenone

C11H12OCAS 4024-14-0160.22 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H12O
Molar mass
160.22 g/mol
Exact mass
160.0888 Da
Density
1.0873 g/mL (at 20 °C)
Boiling point
137–138 °C (at 18 Torr)
logP
2.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4024-14-0
SMILES
CC1C(=O)CCc2ccccc21
InChIKey
VGZQKUJGVYFKBP-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8H,6-7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 2(1H)-Naphthalenone, 3,4-dihydro-1-methyl-
  • 1-Methyl-2-tetralone
  • (RS)-1-Methyl-2-tetralone
  • NSC 89281
  • 1,2,3,4-Tetrahydro-1-methylnaphthalen-2-one
  • 1-Methyl-3,4-dihydronaphthalen-2(1H)-one
  • 1-Methyl-1,2,3,4-tetrahydronaphthalen-2-one
  • 1-Methyl-3,4-dihydro-1H-naphthalen-2-one

Work with 3,4-Dihydro-1-methyl-2(1H)-naphthalenone

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

1-Methyl-7-methoxy-2-tetralone1204-23-557 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-739 % similar 2-Tetralone530-93-839 % similar 1-Indanone83-33-039 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-338 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-238 % similar 5-Chlorodibenzosuberane1210-33-937 % similar Dibenzosuberol1210-34-037 % similar

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

Same formula

2-Methyl-1-tetralone1590-08-5 3-Methyl-4-phenyl-3-buten-2-one1901-26-4 4-Methyl-1-tetralone19832-98-5 7-Methyl-1-tetralone22009-37-6 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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