chempirical

1-Methyl-7-methoxy-2-tetralone

C12H14O2CAS 1204-23-5190.24 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Boiling point
125–126 °C (at 0.8 Torr)
logP
2.31Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1204-23-5
SMILES
COc1ccc2c(c1)C(C)C(=O)CC2
InChIKey
DYIWPPSNJSVFED-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3

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Names and synonyms

5 names
  • 2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-1-methyl-
  • 3,4-Dihydro-7-methoxy-1-methyl-2(1H)-naphthalenone
  • 1-Methyl-7-methoxy-3,4-dihydro-2(1H)-naphthalenone
  • 7-Methoxy-1-methyl-2-tetralone
  • 1-Methyl-7-methoxy-β-tetralone

Work with 1-Methyl-7-methoxy-2-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-1-methyl-2(1H)-naphthalenone4024-14-057 % similar 6-Methoxy-1-indanone13623-25-151 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-250 % similar 7-Methoxy-2-tetralone4133-34-050 % similar 5-Methoxy-1-indanone5111-70-648 % similar 7-Methoxy-1-tetralone6836-19-746 % similar 6-Methoxy-3,4-dihydro-1H-quinolin-2-one54197-64-745 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-544 % similar

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

Same formula

Cinnamyl propionate103-56-0 1-(4-Methoxyphenyl)-1-penten-3-one104-27-8 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-1 4-Vinylbenzyl glycidyl ether113538-80-0 Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-0 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-2 3-(4-(1-Methylethyl)phenyl)-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

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