chempirical

1,4-Diphenoxybenzene

C18H14O2CAS 3061-36-7262.31 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
77 °C
Boiling point
371–372 °C (at 770 Torr)
logP
5.27Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
3061-36-7
SMILES
c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIKey
UVGPELGZPWDPFP-UHFFFAOYSA-N
InChI
InChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H

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

Names and synonyms

7 names
  • Benzene, 1,4-diphenoxy-
  • Benzene, p-diphenoxy-
  • p-Diphenoxybenzene
  • p-Phenoxyphenoxybenzene
  • 4-Phenoxydiphenyl oxide
  • Hydroquinone diphenyl ether
  • p-Bis(p-phenoxyphenoxy)benzene

Work with 1,4-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 ether101-84-892 % similar Biphenyl-diphenyl ether mixture8004-13-575 % similar 4-Bromodiphenyl ether101-55-368 % similar (4-Aminophenoxy)benzene139-59-368 % similar 1-Fluoro-4-phenoxybenzene330-84-768 % similar 4-Chlorophenyl phenyl ether7005-72-368 % similar 4-Phenoxyphenol831-82-368 % similar 4-Phenoxypyridine4783-86-263 % similar

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

Same formula

1,3-Diphenoxybenzene3379-38-2

Elsewhere

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