chempirical

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

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 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 5-Methoxy-1-indanone5111-70-650 % similar

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

Same formula

Ethyl (E)-4-methoxycinnamate24393-56-4 4-(P-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-7 Ethyl α-acetylbenzeneacetate5413-05-8 Ethyl α-oxobenzenebutanoate64920-29-2 Ethyl methylphenylglycidate77-83-8 Acetyleugenol93-28-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook