3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone

C12H14O3CAS 13575-75-2206.24 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Melting point
98–99 °C
logP
2.22Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
13575-75-2
SMILES
COc1cc2c(cc1OC)C(=O)CCC2
InChIKey
YNNJHKOXXBIJKK-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-
  • 6,7-Dimethoxy-3,4-dihydro-1(2H)-naphthalenone
  • 6,7-Dimethoxy-1-tetralone
  • 6,7-Dimethoxy-α-tetralone
  • 6,7-Dimethoxy-1-oxo-1,2,3,4-tetrahydronaphthalene
  • NSC 105617
  • 6,7-Dimethoxy-1,2,3,4-tetrahydro-1-oxonaphthalene
  • 6,7-Dimethoxy-3,4-dihydronaphthalen-1(2H)-one

Work with 3,4-Dihydro-6,7-dimethoxy-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

5,6-Dimethoxy-1-indanone2107-69-981 % similar 6-Methoxy-1-tetralone1078-19-963 % similar 7-Methoxy-1-tetralone6836-19-763 % similar 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one6500-65-857 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-755 % similar 5-Methoxy-1-tetralone33892-75-055 % similar 7-Methyl-1-tetralone22009-37-651 % similar 6-Methoxy-1-indanone13623-25-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl methoxycinnamate24393-56-4 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-3 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-9 4-(p-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-8 3-Benzyloxy-cyclobutanecarboxylic acid4958-02-5

Elsewhere

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