chempirical

Methyl 2-methoxybenzeneacetate

C10H12O3CAS 27798-60-3180.20 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
70.3–71 °C
logP
1.41Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
27798-60-3
SMILES
COC(=O)Cc1ccccc1OC
InChIKey
BNQRSYFOIRGRKV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-12-9-6-4-3-5-8(9)7-10(11)13-2/h3-6H,7H2,1-2H3

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Names and synonyms

6 names
  • Benzeneacetic acid, 2-methoxy-, methyl ester
  • Acetic acid, (o-methoxyphenyl)-, methyl ester
  • Methyl o-methoxyphenylacetate
  • Methyl (2-methoxyphenyl)acetate
  • NSC 245109
  • 2-Methoxyphenylacetic acid methyl ester

Work with Methyl 2-methoxybenzeneacetate

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-hydroxyphenyl)acetate22446-37-361 % similar Methyl 2-chlorobenzeneacetate57486-68-761 % similar 2-Methoxyphenylacetic acid93-25-461 % similar Methyl 1-naphthylacetate2876-78-059 % similar 2(3H)-Benzofuranone553-86-659 % similar Methyl phenylacetate101-41-756 % similar Methyl 4-methoxybenzeneacetate23786-14-351 % similar β-Indolylacetic acid methyl ester1912-33-051 % 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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