chempirical

4-Methyl-1-tetralone

C11H12OCAS 19832-98-5160.22 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
1.0779 g/mL (at 19 °C)
Boiling point
145–160 °C
logP
2.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
19832-98-5
SMILES
CC1CCC(=O)c2ccccc21
InChIKey
SRLHDEROUKFEMJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/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

11 names
  • 1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-
  • 3,4-Dihydro-4-methyl-1(2H)-naphthalenone
  • 3,4-Dihydro-4-methylnaphthalen-1(2H)-one
  • 4-Methyl-α-tetralone
  • 4-Methyltetralone
  • (±)-4-Methyl-1-tetralone
  • (±)-4-Methyl-α-tetralone
  • (RS)-4-Methyl-1-tetralone
  • (±)-1-Methyl-4-tetralone
  • NSC 65631
  • 4-Methyl-3,4-dihydro-2H-naphthalen-1-one

Work with 4-Methyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone79560-19-349 % similar (±)-3-Phenyl-1-indanone16618-72-745 % similar 3-Oxo-1-indancarboxylic acid29427-69-843 % similar 1,3-Indandione606-23-541 % similar 2-Hydroxybutyrophenone2887-61-840 % similar Chromanone491-37-239 % similar 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-838 % similar 2′-Hydroxyflavanone17348-76-437 % 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 7-Methyl-1-tetralone22009-37-6 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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