7-Methoxy-1-tetralone

C11H12O2CAS 6836-19-7176.21 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
67–68 °C
Boiling point
140 °C (at 0.1 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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6836-19-7
SMILES
COc1ccc2c(c1)C(=O)CCC2
InChIKey
GABLTKRIYDNDIN-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 7-Methoxyl-1-tetralone
  • 1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-
  • 3,4-Dihydro-7-methoxy-1(2H)-naphthalenone
  • 7-Methoxy-α-tetralone
  • 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone
  • 7-Methoxytetralone
  • 7-Methoxy-3,4-dihydro-2H-naphthalen-1-one
  • NSC 97611
  • 7-Methoxy-1,2,3,4-tetrahydro-1-oxonaphthalene
  • 7-Methoxy-1,2,3,4-tetrahydro-1-naphthalenone
  • 7-Methoxytetralin-1-one
  • 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Work with 7-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

6-Methoxy-1-indanone13623-25-182 % similar 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-871 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-263 % similar 5-Methoxy-1-indanone5111-70-663 % similar 7-Methyl-1-tetralone22009-37-661 % similar 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-460 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-756 % similar 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 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

Elsewhere

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