Methyl 2,5-dihydroxybenzoate

C₈H₈O₄CAS 2150-46-1168.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈O₄
Molar mass: 168.15 g/mol
Exact mass: 168.0423 Da
Melting point: 86 °C
Boiling point: 55 °C (at 0.01 Torr)
logP: 0.88Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

2150-46-1

SMILES

COC(=O)c1cc(O)ccc1O

InChIKey

XGDPKUKRQHHZTH-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3

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

Names and synonyms

8 names

Benzoic acid, 2,5-dihydroxy-, methyl ester
Gentisic acid, methyl ester
Methyl gentisate
2,5-Dihydroxybenzoic acid methyl ester
Methoxycarbonylhydroquinone
NSC 618316
2-Methoxycarbonyl-1,4-benzenediol
2-(Methoxycarbonyl)hydroquinone

Work with Methyl 2,5-dihydroxybenzoate

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 2,4-dihydroxybenzoate2150-47-276 % similar Dimethyl 4-hydroxyphthalate22479-95-475 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-271 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-071 % similar Methyl 5-methylsalicylate22717-57-369 % similar Methyl 5-hydroxyanthranilate1882-72-067 % similar Methyl 5-iodosalicylate4068-75-167 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-467 % 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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