chempirical

5-Methoxysalicylic acid

C8H8O4CAS 2612-02-4168.15 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acidEtherPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
145–146 °C
logP
1.10Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
2612-02-4
SMILES
COc1ccc(O)c(C(=O)O)c1
InChIKey
IZZIWIAOVZOBLF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-5-methoxy-
  • m-Anisic acid, 6-hydroxy-
  • 2-Hydroxy-5-methoxybenzoic acid
  • 5-Methoxy-2-hydroxybenzoic acid
  • 6-Methoxy-m-anisic acid
  • NSC 2579
  • 5-Methoxy-2-hydroxybenzenecarboxylic acid

Work with 5-Methoxysalicylic acid

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

4-Methoxysalicylic acid2237-36-779 % similar 4-Methoxyphthalic acid1885-13-873 % similar 2,5-Dimethoxybenzoic acid2785-98-069 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-767 % similar 2-Bromo-5-methoxybenzoic acid22921-68-265 % similar 2-Chloro-5-methoxybenzoic acid6280-89-365 % similar 2,4-Dimethoxybenzoic acid91-52-164 % similar 5-Trifluoromethoxysalicylic acid129644-57-162 % similar

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

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-(Acetoxymethyl)-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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