Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

C₁₂H₁₆O₄CAS 61292-90-8224.26 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₂H₁₆O₄
Molar mass: 224.26 g/mol
Exact mass: 224.1049 Da
Boiling point: 80–100 °C (at 0.05 Torr)
logP: 1.90Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

61292-90-8

SMILES

CCOC(=O)CCc1ccc(O)c(OC)c1

InChIKey

XFJQZDADXNOFTQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4,6,8,13H,3,5,7H2,1-2H3

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Names and synonyms

6 names

Benzenepropanoic acid, 4-hydroxy-3-methoxy-, ethyl ester
Hydrocinnamic acid, 4-hydroxy-3-methoxy-, ethyl ester
Ethyl dihydroferulate
Ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
Ethyl 4-hydroxy-3-methoxybenzenepropanoate
Ethyl β-(4-hydroxy-3-methoxyphenyl)propionate

Work with Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

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

Dihydroferulic acid1135-23-564 % similar Zingerone122-48-564 % similar Tetrahydrocurcumin36062-04-164 % similar Paradol27113-22-059 % similar 4-Propylguaiacol2785-87-758 % similar Ethyl vanillate617-05-057 % similar [6]-Shogaol555-66-856 % similar Vanillyl ethyl ether13184-86-656 % similar

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

Same formula

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-9 Ethyl 3,4-dimethoxybenzeneacetate18066-68-7 Pogostone23800-56-8 2-Phenyl-1,3-dioxane-5,5-dimethanol2425-41-4 3,4-Diethoxybenzeneacetic acid38464-04-9 1,3-Adamantanedicarboxylic acid39269-10-8 Olivetolic acid491-72-5 Ethylvanillin propylene glycol acetal68527-76-4

Elsewhere

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