chempirical

3-(2-Hydroxyethoxy)benzaldehyde

C9H10O3CAS 60345-97-3166.18 g/mol

Open in Covalent MOL file
OOHO
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
60345-97-3
SMILES
O=Cc1cccc(OCCO)c1
InChIKey
LIUCHRXQRHVSJI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7,10H,4-5H2

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

Names and synonyms

2 names
  • Benzaldehyde, 3-(2-hydroxyethoxy)-
  • m-(2-Hydroxyethoxy)benzaldehyde

Work with 3-(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

3-Ethoxybenzaldehyde22924-15-866 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-565 % similar 1,3-Bis(2-hydroxyethoxy)benzene102-40-965 % similar 3-Benzyloxybenzaldehyde1700-37-458 % similar 2-(3-Methylphenoxy)ethanol13605-19-154 % similar 3-Phenoxybenzaldehyde39515-51-053 % similar Phenoxyethanol122-99-652 % similar 2-(2-Hydroxyethoxy)benzaldehyde22042-72-449 % 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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