chempirical

1,3-Diphenoxybenzene

C18H14O2CAS 3379-38-2262.31 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C18H14O2
Molar mass
262.31 g/mol
Exact mass
262.0994 Da
Melting point
61.5 °C
Boiling point
145–151 °C (at 0.3 Torr)
logP
5.27Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
3379-38-2
SMILES
c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
InChIKey
JTNRGGLCSLZOOQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H

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

Names and synonyms

6 names
  • Benzene, 1,3-diphenoxy-
  • Benzene, m-diphenoxy-
  • m-Diphenoxybenzene
  • m-Phenoxyphenoxybenzene
  • m-Diphenyloxybenzene
  • m-3 F2 E

Work with 1,3-Diphenoxybenzene

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

Diphenyl ether101-84-875 % similar 3-Phenoxytoluene3586-14-968 % similar 3-Phenoxybenzenamine3586-12-765 % similar 3-Phenoxyphenol713-68-865 % similar Biphenyl-diphenyl ether mixture8004-13-563 % similar 4-Phenoxypyridine4783-86-262 % similar 1,3-Bis(4-aminophenoxy)benzene2479-46-161 % similar 4-Chlorophenyl phenyl ether7005-72-359 % similar

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

Same formula

1,4-Diphenoxybenzene3061-36-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook