2-Acetylbenzofuran

C10H8O2CAS 1646-26-0160.17 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C10H8O2
Molar mass
160.17 g/mol
Exact mass
160.0524 Da
Melting point
76 °C
Boiling point
118–119 °C (at 5 Torr)
logP
2.64Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1646-26-0
SMILES
CC(=O)c1cc2ccccc2o1
InChIKey
YUTFQTAITWWGFH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,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-benzofuranyl)-
  • Ketone, 2-benzofuranyl methyl
  • 1-(2-Benzofuranyl)ethanone
  • 2-Acetylcoumarone
  • Benzo[b]furan-2-yl methyl ketone
  • 2-Benzofuranyl methyl ketone
  • 1-(2-Benzofuryl)-1-ethanone
  • 2-Benzofuryl methyl ketone
  • 2-Acetylbenzo[b]furan
  • NSC 23974
  • NSC 28904
  • 1-(Benzofuran-2-yl)ethan-1-one
  • 1-(1-Benzofuran-2-yl)ethanone

Work with 2-Acetylbenzofuran

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

3-Acetylcoumarin3949-36-861 % similar 2-Benzofurancarbonyl chloride41717-28-661 % similar 2-Benzofurancarboxylic acid496-41-359 % similar 1-(1-Benzofuran-2-yl)-2-bromoethan-1-one23489-36-354 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-954 % similar 2-Acetyl-5-nitrobenzo[B]furan23136-39-254 % similar 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-953 % similar 1,2-Diacetylbenzene704-00-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethynyl-4-methyl-benzoic acid1001203-03-7 1,3-Dihydroxynaphthalene132-86-5 7-Methylcoumarin2445-83-2 Methyl 4-ethynylbenzoate3034-86-4 Phenylpropynoic acid methyl ester4891-38-7 2H-1-Benzopyran-3-carboxaldehyde51593-69-2 1,8-Dihydroxynaphthalene569-42-6 1,4-Naphthalenediol571-60-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook