6-Methoxy-1-tetralone

C11H12O2CAS 1078-19-9176.21 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
Melting point
78 °C
Boiling point
135–139 °C (at 1 Torr)
logP
2.21Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1078-19-9
SMILES
COc1ccc2c(c1)CCCC2=O
InChIKey
MNALUTYMBUBKNX-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-
  • 3,4-Dihydro-6-methoxy-1(2H)-naphthalenone
  • 6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalene
  • 6-Methoxy-α-tetralone
  • 1,2,3,4-Tetrahydro-6-methoxy-1-naphthalenone
  • 1-Oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene
  • 6-Methoxy-3,4-dihydro-1(2H)-naphthalenone
  • NSC 41700
  • 6-Methoxy-3,4-dihydro-2H-naphthalen-1-one
  • 6-Methoxy-3,4-dihydronaphthalene-1(2H)-one
  • 6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
  • 6-Methoxy-alpha-tetralone

Work with 6-Methoxy-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-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-891 % similar 5-Methoxy-1-indanone5111-70-682 % similar 7-Methoxy-1-tetralone6836-19-778 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-263 % similar 6-Methoxy-1-indanone13623-25-163 % similar 6-Chloro-1-tetralone26673-31-456 % similar 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone3470-50-656 % similar 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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