chempirical

Methyl 3-(4-methoxyphenyl)propanoate

C11H14O3CAS 15823-04-8194.23 g/mol

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Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
1.80Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
15823-04-8
SMILES
COC1=CC=C(C=C1)CCC(=O)OC
InChIKey
AKQLYAFBUYHFCK-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3

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Names and synonyms

1 names
  • Methyl 3-(4-methoxyphenyl)propionate

Work with Methyl 3-(4-methoxyphenyl)propanoate

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

Methyl 4-methoxybenzeneacetate23786-14-372 % similar Methyl 3-phenylpropionate103-25-366 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-162 % similar Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-557 % similar 4-Methoxybenzenebutanoic acid4521-28-253 % similar Esmolol81147-92-451 % similar 4-Methoxyphenylacetone122-84-950 % similar (4-Methoxyphenyl)acetic acid104-01-849 % 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 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7

Elsewhere

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