chempirical

4-(2-Hydroxyethoxy)benzaldehyde

C9H10O3CAS 22042-73-5166.18 g/mol

Open in Covalent MOL file
OOOH
AlcoholAldehydeEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
0.87Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
22042-73-5
SMILES
O=Cc1ccc(OCCO)cc1
InChIKey
VCDGTEZSUNFOKA-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7,10H,5-6H2

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 4-(2-hydroxyethoxy)-
  • Benzaldehyde, p-(2-hydroxyethoxy)-
  • 2-(p-Formylphenoxy)ethanol
  • p-Hydroxyethoxybenzaldehyde
  • p-(2-Hydroxyethoxy)benzaldehyde

Work with 4-(2-Hydroxyethoxy)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

Hydroquinone bis(2-hydroxyethyl) ether104-38-165 % similar 3-(2-Hydroxyethoxy)benzaldehyde60345-97-365 % similar 4-Propoxybenzaldehyde5736-85-663 % similar 4-Ethoxybenzaldehyde10031-82-061 % similar 4-Butoxybenzaldehyde5736-88-959 % similar 4-(Pentyloxy)benzaldehyde5736-91-457 % similar 4-(Octyloxy)benzaldehyde24083-13-456 % similar 4-(Heptyloxy)benzaldehyde27893-41-056 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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