chempirical

4-(Allyloxy)benzaldehyde

C10H10O2CAS 40663-68-1162.19 g/mol

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OO
AldehydeAlkeneEther

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
179 °C
Boiling point
142 °C (at 10 Torr)
logP
2.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
40663-68-1
SMILES
C=CCOc1ccc(C=O)cc1
InChIKey
TYNJQOJWNMZQFZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2

Weigh it out

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

Names and synonyms

10 names
  • Benzaldehyde, 4-(2-propen-1-yloxy)-
  • Benzaldehyde, 4-(2-propenyloxy)-
  • Benzaldehyde, p-(allyloxy)-
  • 4-(2-Propen-1-yloxy)benzaldehyde
  • p-(Allyloxy)benzaldehyde
  • 4-(2-Propenyloxy)benzaldehyde
  • Allyl 4-formylphenyl ether
  • NSC 44013
  • Allyl p-formylphenyl ether
  • 4-(Prop-2-enoxy)benzaldehyde

Work with 4-(Allyloxy)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

Allyl phenyl ether1746-13-057 % similar 4-Ethoxybenzaldehyde10031-82-056 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-553 % similar 4-Propoxybenzaldehyde5736-85-653 % similar Bisphenol A diallyl ether3739-67-151 % similar 2-(4-Formylphenoxy)acetonitrile385383-45-951 % similar 4-(Benzyloxy)benzaldehyde4397-53-951 % similar 2-(Allyloxy)benzaldehyde28752-82-150 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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