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

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
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

13 names · show all
  • 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
  • 1,4-Benzodioxan-6-yl methyl ketone

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

1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-687 % similar 5-Acetyl-1,3-benzodioxole3162-29-680 % similar 1-(2,3-Dihydro-5-benzofuranyl)ethanone90843-31-568 % similar 3,4-Dimethoxyacetophenone1131-62-061 % similar 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid4442-54-059 % similar 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-357 % similar 1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one59820-90-557 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-656 % 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-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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