chempirical

4-(1-Oxopropoxy)benzaldehyde

C10H10O3CAS 50262-48-1178.19 g/mol

Open in Covalent MOL file
OOO
AldehydeEster

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Boiling point
108 °C (at 0.08 Torr)
logP
1.81Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
50262-48-1
SMILES
CCC(=O)Oc1ccc(C=O)cc1
InChIKey
NKXPJXVTMWLHBC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 4-(1-oxopropoxy)-
  • p-(Propionyloxy)benzaldehyde
  • 4-Propionoxybenzaldehyde
  • 4-(Propionyloxy)benzaldehyde
  • (4-Formylphenyl) propanoate

Work with 4-(1-Oxopropoxy)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

4-(Acetyloxy)benzaldehyde878-00-257 % similar 4-Ethoxybenzaldehyde10031-82-051 % similar 4-Propoxybenzaldehyde5736-85-649 % similar 4-Anisaldehyde123-11-547 % similar 4-Ethylbenzaldehyde4748-78-147 % similar 4-Butoxybenzaldehyde5736-88-946 % similar (4-Formylphenoxy)acetic acid22042-71-345 % similar 4-(Pentyloxy)benzaldehyde5736-91-445 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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