chempirical

Dibenzofuran

C12H8OCAS 132-64-9168.19 g/mol

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O

Properties

Molecular formula
C12H8O
Molar mass
168.19 g/mol
Exact mass
168.0575 Da
Density
1.0886 g/mL (at 99 °C)
Melting point
86.5 °C
Boiling point
287 °C
logP
3.59Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
132-64-9
SMILES
c1ccc2c(c1)oc1ccccc12
InChIKey
TXCDCPKCNAJMEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

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Names and synonyms

6 names
  • 2,2′-Biphenylene oxide
  • 2,2′-Biphenylylene oxide
  • Dibenzo[b,d]furan
  • Diphenylene oxide
  • [1,1′-Biphenyl]-2,2′-diyl oxide
  • NSC 1245

Work with Dibenzofuran

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Dibenzofuranamine4106-66-558 % similar 2-Bromodibenzofuran86-76-058 % similar 2-Dibenzofuranol86-77-158 % similar 1-Bromodibenzofuran50548-45-354 % similar 1-Chlorodibenzofuran84761-86-454 % similar 1-Dibenzofuranamine50548-40-852 % similar 4-Dibenzofuranamine50548-43-152 % similar 2,3-Dimethylbenzofuran3782-00-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia