3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone

C12H14OCAS 13621-25-5174.24 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H14O
Molar mass
174.24 g/mol
Exact mass
174.1045 Da
Melting point
50 °C
Boiling point
160 °C (at 14 Torr)
logP
2.82Crippen 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
13621-25-5
SMILES
Cc1cc(C)c2c(c1)C(=O)CCC2
InChIKey
UYJCNOMEGPDXMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3

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-5,7-dimethyl-
  • 5,7-Dimethyl-1-tetralone
  • 5,7-Dimethyl-1,2,3,4-tetrahydro-1-naphthalenone
  • 5,7-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
  • NSC 63113
  • 5,7-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
  • 3,4-Dihydro-5,7-dimethylnaphthalen-1(2H)-one

Work with 3,4-Dihydro-5,7-dimethyl-1(2H)-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

7-Methyl-1-tetralone22009-37-655 % similar 6-Methyl-1-indanone24623-20-946 % similar 4-Methyl-1-indanone24644-78-846 % similar 6,7-Dihydro-2-methyl-4(5H) benzofuranone50615-16-244 % similar 2,4,6-Trimethylbenzeneacetic acid4408-60-044 % similar 5-Methyl-1-indanone4593-38-843 % similar 1,3,5-Trimethyl-2-((2,4,6-trimethylphenyl)methyl)benzene733-07-342 % similar 5-Bromo-1-tetralone68449-30-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 6-Acetyltetralin774-55-0

Elsewhere

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