chempirical

4-Ethoxybenzenepropanoic acid

C11H14O3CAS 4919-34-0194.23 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
103–104 °C
logP
2.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
4919-34-0
SMILES
CCOc1ccc(CCC(=O)O)cc1
InChIKey
ZDSHOEQSCJOGCK-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)

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

Names and synonyms

6 names
  • Benzenepropanoic acid, 4-ethoxy-
  • Hydrocinnamic acid, p-ethoxy-
  • p-Ethoxyhydrocinnamic acid
  • 3-(4-Ethoxyphenyl)propionic acid
  • NSC 157580
  • 3-(4-Ethoxyphenyl)propanoic acid

Work with 4-Ethoxybenzenepropanoic acid

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-Ethoxybenzeneacetic acid4919-33-974 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-966 % similar 1,4-Benzenedipropanoic acid4251-21-263 % similar 3-(4-Hydroxymethylphenoxy)propionic acid101366-61-458 % similar 3-(4-Methylphenyl)propionic acid1505-50-657 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-655 % similar Phloretic acid501-97-354 % similar 4-Ethoxybenzoic acid619-86-354 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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