chempirical

Ethyl orsellinate

C10H12O4CAS 2524-37-0196.20 g/mol

Open in Covalent MOL file
OOOHHO
EsterPhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
132 °C
logP
1.58Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
2524-37-0
SMILES
CCOC(=O)c1c(C)cc(O)cc1O
InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3

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Names and synonyms

5 names
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester
  • β-Resorcylic acid, 6-methyl-, ethyl ester
  • Ethyl 2,4-dihydroxy-6-methylbenzoate
  • NSC 149781
  • 2,4-Dihydroxy-6-methylbenzoic acid ethyl ester

Work with Ethyl orsellinate

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

Ethyl 2-hydroxy-6-methylbenzoate6555-40-463 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-859 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-254 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-550 % similar Ethyl protocatechuate3943-89-350 % similar Ethyl gallate831-61-850 % similar Ethylparaben120-47-849 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-148 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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