chempirical

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone

C10H10O3CAS 2879-20-1178.19 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
84–85 °C
logP
1.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2879-20-1
SMILES
CC(=O)c1ccc2c(c1)OCCO2
InChIKey
HGVWMTAIIYNQSI-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
  • Ketone, 1,4-benzodioxan-6-yl methyl
  • 1,4-Benzodioxin, ethanone deriv.
  • 6-Acetyl-1,4-benzodioxan
  • 6-Acetyl-1,4-benzodioxane
  • 6-Acetylbenzodioxane
  • 1-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)ethanone
  • 3,4-Ethylenedioxyacetophenone
  • 1-(Benzodioxan-6-yl)ethanone
  • 3′,4′-Ethylenedioxyacetophenone
  • 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-one
  • 6-Acetyl-2,3-dihydro-1,4-benzodioxin

Work with 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone

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-Acetyl-1,3-benzodioxole3162-29-680 % similar 3,4-Dimethoxyacetophenone1131-62-061 % similar 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid4442-54-059 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-656 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-751 % similar 1,4-Diacetylbenzene1009-61-650 % similar Ethyl 3,4-bis(2-methoxyethoxy)benzoate183322-16-950 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-450 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 Calone28940-11-6

Elsewhere

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