chempirical

Methyl 3-(4-chlorophenyl)-2-propenoate

C10H9ClO2CAS 7560-44-3196.63 g/mol

Open in Covalent MOL file
OOCl
AlkeneAryl halideEster

Properties

Molecular formula
C10H9ClO2
Molar mass
196.63 g/mol
Exact mass
196.0291 Da
Melting point
76–76.5 °C
logP
2.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
7560-44-3
SMILES
COC(=O)C=Cc1ccc(Cl)cc1
InChIKey
IIBXQGYKZKOORG-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3

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Names and synonyms

10 names
  • 2-Propenoic acid, 3-(4-chlorophenyl)-, methyl ester
  • Cinnamic acid, p-chloro-, methyl ester
  • Methyl p-chlorocinnamate
  • Methyl 4-chlorocinnamate
  • 4-Chlorocinnamic acid methyl ester
  • 3-(4-Chlorophenyl)-2-propenoic acid methyl ester
  • NSC 155559
  • Methyl 3-(4-chlorophenyl)acrylate
  • 3-(4-Chlorophenyl)acrylic acid methyl ester
  • Methyl 3-(4-chlorophenyl)propenoate

Work with Methyl 3-(4-chlorophenyl)-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-propenoate7560-50-168 % similar Methyl cinnamate103-26-467 % similar Methyl P-coumarate3943-97-366 % similar Methyl 4-methoxycinnamate832-01-966 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-661 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-557 % similar Methyl caffeate3843-74-156 % similar 4-Chlorocinnamic acid1615-02-753 % similar

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

Same formula

1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-3

Elsewhere

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