chempirical

3-(4-Methoxyphenoxy)benzaldehyde

C14H12O3CAS 62373-80-2228.25 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
logP
3.30Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
62373-80-2
SMILES
COc1ccc(Oc2cccc(C=O)c2)cc1
InChIKey
WLFDEVVCXPTAQA-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-10H,1H3

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Names and synonyms

2 names
  • Benzaldehyde, 3-(4-methoxyphenoxy)-
  • [3-(4-Methoxyphenoxy)phenyl]formaldehyde

Work with 3-(4-Methoxyphenoxy)benzaldehyde

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

3-Phenoxybenzaldehyde39515-51-072 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-767 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-364 % similar 4-Anisaldehyde123-11-559 % similar 3,5-Dimethoxybenzaldehyde7311-34-459 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-955 % similar 6-Methoxy-2-naphthaldehyde3453-33-654 % similar 4-Phenoxybenzaldehyde67-36-753 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 Phenyl phenylmethyl carbonate28170-07-2 2,4-Dihydroxyphenyl benzyl ketone3669-41-8

Elsewhere

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