2-Methyl-1-tetralone

C11H12OCAS 1590-08-5160.22 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H12O
Molar mass
160.22 g/mol
Exact mass
160.0888 Da
Melting point
15 °C
Boiling point
135–137 °C (at 16 Torr)
logP
2.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1590-08-5
SMILES
CC1CCc2ccccc2C1=O
InChIKey
GANIBVZSZGNMNB-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3

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-2-methyl-
  • 3,4-Dihydro-2-methyl-1(2H)-naphthalenone
  • 1-Oxo-2-methyl-1,2,3,4-tetrahydronaphthalene
  • 2-Methyl-α-tetralone
  • 2-Methyl-3,4-dihydro-2H-naphthalen-1-one
  • 2-Methyl-1,2,3,4-tetrahydronaphthalen-1-one
  • 2-Methyl-3,4-dihydronaphthalen-1(2H)-one

Work with 2-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

2-Acetyl-1-tetralone17216-08-959 % similar 2-Bromo-1-indanone1775-27-547 % similar Dibenzosuberone1210-35-145 % similar 6-Fluoro-2-methylindan-1-one37794-19-744 % similar 5-Fluoro-2,3-dihydro-2-methyl-1H-inden-1-one41201-58-544 % similar 1-Indanone83-33-043 % similar 1-Tetralone529-34-041 % similar 3,4-Dihydroisocoumarin4702-34-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-4-phenyl-3-buten-2-one1901-26-4 4-Methyl-1-tetralone19832-98-5 7-Methyl-1-tetralone22009-37-6 3,3-Dimethyl-1-indanone26465-81-6 5,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-one37949-03-4 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Cyclobutyl phenyl ketone5407-98-7 Benzosuberone826-73-3

Elsewhere

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