4-Hydroxy-3,5-dimethoxybenzamide

C₉H₁₁NO₄CAS 3086-72-4197.19 g/mol

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Properties

Molecular formula: C₉H₁₁NO₄
Molar mass: 197.19 g/mol
Exact mass: 197.0688 Da
Melting point: 184–185 °C
logP: 1.29Crippen estimate
Polar surface area: 82.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H341 Suspected of causing genetic defects11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, P501

Identifiers

CAS number

3086-72-4

SMILES

COc1cc(C(=N)O)cc(OC)c1O

InChIKey

XWMSEZHMHBQVLE-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)

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Names and synonyms

4 names

Benzamide, 4-hydroxy-3,5-dimethoxy-
Syringamide
NSC 164893
3,5-Dimethoxy-4-hydroxybenzamide

Work with 4-Hydroxy-3,5-dimethoxybenzamide

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

3,4,5-Trimethoxybenzamide3086-62-271 % similar 3,4-Dimethoxybenzamide1521-41-164 % similar 3,5-Dimethoxybenzamide17213-58-059 % similar Syringic acid530-57-459 % similar Acetosyringone2478-38-854 % similar 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-154 % similar 3-Amino-4-methoxybenzamide17481-27-554 % similar 3,4,5-Trihydroxybenzamide618-73-553 % similar

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

Same formula

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide24207-41-8 2-Amino-4,5-dimethoxybenzoic acid5653-40-7 5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid57078-99-6 D-Dopa5796-17-8 DOPA59-92-7 Dl-dopa63-84-3 Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-3 4,5-Dimethoxy-2-nitrotoluene7509-11-7

Elsewhere

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