4-Phenoxybenzaldehyde

C13H10O2CAS 67-36-7198.22 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Boiling point
183–185 °C (at 18 Torr)
logP
3.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
67-36-7
SMILES
O=Cc1ccc(Oc2ccccc2)cc1
InChIKey
QWLHJVDRPZNVBS-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 4-phenoxy-
  • Benzaldehyde, p-phenoxy-
  • p-Phenoxybenzaldehyde
  • 4-Formyldiphenyl ether
  • 4-Phenoxybenzenecarboxaldehyde

Work with 4-Phenoxybenzaldehyde

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

4-(4-Fluorophenoxy)benzaldehyde137736-06-264 % similar 4-(4-Chlorophenoxy)benzaldehyde61343-99-564 % similar Benzaldehyde100-52-761 % similar 1,4-Diphenoxybenzene3061-36-759 % similar 4-(Benzyloxy)benzaldehyde4397-53-958 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-858 % similar 4-Phenoxystyrene4973-29-957 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxybenzophenone1137-42-4 2-Hydroxybenzophenone117-99-7 3-Hydroxybenzophenone13020-57-0 3-(1-Naphthalenyl)-2-propenoic acid13026-12-5 2-Phenoxybenzaldehyde19434-34-5 3-Phenoxybenzaldehyde39515-51-0 [1,1′-Biphenyl]-3-carboxylic acid716-76-7 Xanthydrol90-46-0

Elsewhere

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