4-Methoxysalicylic acid

C₈H₈O₄CAS 2237-36-7168.15 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₈H₈O₄
Molar mass: 168.15 g/mol
Exact mass: 168.0423 Da
Melting point: 157 °C
logP: 1.10Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

2237-36-7

SMILES

COc1ccc(C(=O)O)c(O)c1

InChIKey

MRIXVKKOHPQOFK-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/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-4-methoxy-
p-Anisic acid, 2-hydroxy-
2-Hydroxy-4-methoxybenzoic acid
2-Hydroxy-p-anisic acid
4-Methoxy-2-hydroxybenzoic acid
p-Methoxysalicylic acid
NSC 94304

Work with 4-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

5-Methoxysalicylic acid2612-02-479 % similar 4-Methoxyphthalic acid1885-13-875 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-473 % similar 2,4-Dimethoxybenzoic acid91-52-171 % similar Paeonol552-41-069 % similar Methyl 4-methoxysalicylate5446-02-667 % similar 2,5-Dimethoxybenzoic acid2785-98-066 % similar Dioxybenzone131-53-363 % 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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