chempirical

Methyl (2-hydroxyphenyl)acetate

C9H10O3CAS 22446-37-3166.18 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
122–124 °C
Boiling point
90–94 °C (at 0.1 Torr)
logP
1.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
22446-37-3
SMILES
COC(=O)Cc1ccccc1O
InChIKey
BVBSGGBDFJUSIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3

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Names and synonyms

7 names
  • Benzeneacetic acid, 2-hydroxy-, methyl ester
  • Acetic acid, (o-hydroxyphenyl)-, methyl ester
  • Methyl o-hydroxyphenylacetate
  • Methyl 2-hydroxybenzeneacetate
  • 2-Hydroxyphenylacetic acid methyl ester
  • 2-(2-Hydroxyphenyl)acetic acid methyl ester
  • Methyl 2-(2′-hydroxyphenyl)acetate

Work with Methyl (2-hydroxyphenyl)acetate

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-methoxybenzeneacetate27798-60-361 % similar Methyl 2-chlorobenzeneacetate57486-68-761 % similar Methyl 1-naphthylacetate2876-78-059 % similar Methyl phenylacetate101-41-756 % similar Methyl (4-hydroxyphenyl)acetate14199-15-651 % similar β-Indolylacetic acid methyl ester1912-33-051 % similar Methyl 2-pyridineacetate1658-42-049 % similar Methyl salicylate119-36-849 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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