chempirical

7-Methyl-1-tetralone

C11H12OCAS 22009-37-6160.22 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H12O
Molar mass
160.22 g/mol
Exact mass
160.0888 Da
Melting point
35–36 °C
Boiling point
143–145 °C (at 15 Torr)
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
22009-37-6
SMILES
Cc1ccc2c(c1)C(=O)CCC2
InChIKey
GGMYZZBVIWUXEC-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-
  • 3,4-Dihydro-7-methyl-1(2H)-naphthalenone
  • 7-Methyltetralone
  • 7-Methyl-α-tetralone
  • NSC 115847
  • 7-Methyl-3,4-dihydronaphthalen-1(2H)-one
  • 7-Methyltetralin-1-one

Work with 7-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-761 % similar 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-561 % similar 7-Methoxy-1-tetralone6836-19-761 % similar 3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-555 % similar 7-Nitro-1-tetralone40353-34-254 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-251 % similar 6-Methoxy-1-tetralone1078-19-949 % similar 6-Chloro-1-tetralone26673-31-449 % 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 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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