chempirical

Methyl 4-methoxysalicylate

C9H10O4CAS 5446-02-6182.17 g/mol

Open in Covalent MOL file
OOOHO
EsterEtherPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
49 °C
logP
1.19Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
5446-02-6
SMILES
COC(=O)c1ccc(OC)cc1O
InChIKey
ZICRWXFGZCVTBZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3

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Names and synonyms

6 names
  • Benzoic acid, 2-hydroxy-4-methoxy-, methyl ester
  • p-Anisic acid, 2-hydroxy-, methyl ester
  • Methyl 2-hydroxy-4-methoxybenzoate
  • 2-Hydroxy-4-methoxybenzoic acid methyl ester
  • NSC 17154
  • Methyl 4-methoxy-2-hydroxybenzoate

Work with Methyl 4-methoxysalicylate

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

2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-469 % similar Methyl 2,4-dimethoxybenzoate2150-41-667 % similar Methyl 2,4-dihydroxybenzoate2150-47-267 % similar 4-Methoxysalicylic acid2237-36-767 % similar Methyl 2-hydroxy-p-toluate4670-56-865 % similar Paeonol552-41-065 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-063 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-163 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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