3-(2-Ethoxyphenyl)-2-propenoic acid

C₁₁H₁₂O₃CAS 69038-81-9192.21 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₂O₃
Molar mass: 192.21 g/mol
Exact mass: 192.0786 Da
Melting point: 133–134 °C
logP: 2.18Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

69038-81-9

SMILES

CCOc1ccccc1C=CC(=O)O

InChIKey

UXTDCJJEJZCEBF-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

4 names

2-Propenoic acid, 3-(2-ethoxyphenyl)-
Cinnamic acid, o-ethoxy-
2-Ethoxycinnamic acid
NSC 98551

Work with 3-(2-Ethoxyphenyl)-2-propenoic 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

trans-2-Methoxycinnamic acid1011-54-767 % similar 2-Methoxycinnamic acid6099-03-267 % similar 3-[2-(Acetyloxy)phenyl]-2-propenoic acid55620-18-362 % similar 2-Methylcinnamic acid2373-76-455 % similar 3-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-155 % similar 2-Ethoxybenzaldehyde613-69-454 % similar 2-Formylcinnamic acid130036-17-853 % similar O-Coumaric acid583-17-553 % similar

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

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-9

Elsewhere

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