Methyl 2,4-dihydroxybenzoate

C8H8O4CAS 2150-47-2168.15 g/mol

Open in Covalent MOL file
OOOHHO
EsterPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
118–121 °C
Boiling point
102–104 °C (at 0.5 Torr)
logP
0.88Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2150-47-2
SMILES
COC(=O)c1ccc(O)cc1O
InChIKey
IIFCLXHRIYTHPV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(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

4 names
  • Benzoic acid, 2,4-dihydroxy-, methyl ester
  • β-Resorcylic acid, methyl ester
  • Methyl β-resorcylate
  • 2,4-Dihydroxybenzoic acid methyl ester

Work with Methyl 2,4-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 2,5-dihydroxybenzoate2150-46-176 % similar Dimethyl 4-hydroxyphthalate22479-95-475 % similar Methyl 2-hydroxy-p-toluate4670-56-869 % similar Methyl 4-hydroxy-2-methylbenzoate57556-31-769 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-067 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-567 % similar Methyl 4-fluorosalicylate392-04-167 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-467 % 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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