chempirical

Methyl 2-hydroxy-3-methoxy-5-(2-propen-1-yl)benzoate

C12H14O4CAS 85614-43-3222.24 g/mol

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AlkeneEsterEtherPhenol

Properties

Molecular formula
C12H14O4
Molar mass
222.24 g/mol
Exact mass
222.0892 Da
Melting point
55–55.5 °C
Boiling point
173–174 °C (at 12 Torr)
logP
1.92Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
85614-43-3
SMILES
C=CCc1cc(OC)c(O)c(C(=O)OC)c1
InChIKey
LYSUGZLJKRSLHM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3

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

Names and synonyms

4 names
  • Benzoic acid, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)-, methyl ester
  • Benzoic acid, 2-hydroxy-3-methoxy-5-(2-propenyl)-, methyl ester
  • Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
  • Methyl 5-allyl-3-methoxysalicylate

Work with Methyl 2-hydroxy-3-methoxy-5-(2-propen-1-yl)benzoate

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

Methoxyeugenol6627-88-966 % similar Alibendol26750-81-257 % similar Methyl syringate884-35-551 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-751 % similar Elemicin487-11-650 % similar Methyl eugenol93-15-246 % similar Acetyleugenol93-28-745 % similar Myristicin607-91-045 % similar

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

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Isobutavan20665-85-4 5-tert-Butylisophthalic acid2359-09-3 Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-6 Ethyl ferulate4046-02-0 1,4-Benzenedipropanoic acid4251-21-2 Piperonyl isobutyrate5461-08-5

Elsewhere

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