chempirical

3-Benzyloxy-propionaldehyde

C10H12O2CAS 19790-60-4164.20 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
1.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
19790-60-4
SMILES
C1=CC=C(C=C1)COCCC=O
InChIKey
ANSYAMHYCYOWAW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2

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Names and synonyms

1 names
  • 3-(Benzyloxy)propanal

Work with 3-Benzyloxy-propionaldehyde

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

(Benzyloxy)acetaldehyde60656-87-366 % similar Benzyloxyethanol622-08-252 % similar 3-(Benzyloxy)-1-propanol4799-68-248 % similar Benzyl 3-bromopropyl ether54314-84-048 % similar Benzyl butyl ether588-67-048 % similar Phenylacetaldehyde122-78-148 % similar Benzyl isopentyl ether122-73-647 % similar Allyl benzyl ether14593-43-245 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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