chempirical

4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone

C16H12Cl2OCAS 79560-19-3291.17 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C16H12Cl2O
Molar mass
291.17 g/mol
Exact mass
290.0265 Da
Melting point
99–101 °C
logP
5.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
79560-19-3
SMILES
O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey
JGMBHJNMQVKDMW-UHFFFAOYSA-N
InChI
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2

Weigh it out

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

Names and synonyms

11 names
  • 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-
  • (±)-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
  • 4-(3,4-Dichlorophenyl)-1-tetralone
  • Sertraline tetralone
  • 4-(3,4-Dichlorophenyl)-1-oxo-1,2,3,4-tetrahydronaphthalene
  • Sertralone
  • 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenone
  • 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalone
  • CP 52608
  • 4-(3,4-Dichlorophenyl)tetralin-1-one
  • rac-Tetralone

Work with 4-(3,4-Dichlorophenyl)-3,4-dihydro-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

N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine79560-20-664 % similar 4-Methyl-1-tetralone19832-98-549 % similar Sertraline79617-96-248 % similar (±)-3-Phenyl-1-indanone16618-72-747 % similar Sertraline hydrochloride79559-97-045 % similar Rel-(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1)79617-99-545 % similar 4-Chloroindan-1-one15115-59-044 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-841 % similar

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

Elsewhere

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