chempirical

3-Phenoxybenzaldehyde

C13H10O2CAS 39515-51-0198.22 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Melting point
153 °C
Boiling point
140 °C
logP
3.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
39515-51-0
SMILES
O=Cc1cccc(Oc2ccccc2)c1
InChIKey
MRLGCTNJRREZHZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H

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

Names and synonyms

4 names
  • Benzaldehyde, 3-phenoxy-
  • m-Phenoxybenzaldehyde
  • m-(Phenyloxy)benzaldehyde
  • 5-Phenoxybenzaldehyde

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(4-Methoxyphenoxy)benzaldehyde62373-80-272 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-963 % similar 3-Benzyloxybenzaldehyde1700-37-462 % similar 1,3-Diphenoxybenzene3379-38-258 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-057 % similar 3-Ethoxybenzaldehyde22924-15-856 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-956 % similar Benzaldehyde100-52-754 % 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 4-Phenoxybenzaldehyde67-36-7 [1,1′-Biphenyl]-3-carboxylic acid716-76-7 Xanthydrol90-46-0

Elsewhere

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