Methyl (2E)-3-(4-methylphenyl)-2-propenoate

C₁₁H₁₂O₂CAS 20754-20-5176.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
logP: 2.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

20754-20-5

SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OC

InChIKey

WLJBRXRCJNSDHT-BQYQJAHWSA-N

InChI

InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+

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Names and synonyms

1 names

Methyl 4-methylcinnamate

Work with Methyl (2E)-3-(4-methylphenyl)-2-propenoate

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 3-(4-formylphenyl)-2-propenoate7560-50-170 % similar Methyl cinnamate103-26-469 % similar Methyl 4-hydroxycinnamate19367-38-568 % similar Methyl p-coumarate3943-97-368 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-368 % similar Methyl 4-methoxycinnamate832-01-968 % similar Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-064 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-662 % similar

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

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4

Elsewhere

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