chempirical

Ethyl 2-hydroxy-6-methylbenzoate

C10H12O3CAS 6555-40-4180.20 g/mol

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OOHO
EsterPhenol

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
42–45 °C
Boiling point
85–95 °C (at 0.5 Torr)
logP
1.88Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
6555-40-4
SMILES
CCOC(=O)c1c(C)cccc1O
InChIKey
KWXBNUYCDMPLEQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6,11H,3H2,1-2H3

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Names and synonyms

4 names
  • Benzoic acid, 2-hydroxy-6-methyl-, ethyl ester
  • 2,6-Cresotic acid, ethyl ester
  • Ethyl 6-methylsalicylate
  • 2-Hydroxy-6-methylbenzoic acid ethyl ester

Work with Ethyl 2-hydroxy-6-methylbenzoate

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 orsellinate2524-37-063 % similar Ethyl 2-methoxy-6-methylbenzoate6520-83-863 % similar Ethyl salicylate118-61-659 % similar Ethyl 2-methylbenzoate87-24-156 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-853 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-251 % similar Ethyl protocatechuate3943-89-351 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-149 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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