chempirical

Ethyl 2-phenoxyacetate

C10H12O3CAS 2555-49-9180.20 g/mol

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EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Density
1.1029 g/mL (at 20 °C)
Boiling point
99–100 °C (at 1.5 Torr)
logP
1.63Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
2555-49-9
SMILES
CCOC(=O)COc1ccccc1
InChIKey
MGZFVSUXQXCEHM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Names and synonyms

4 names
  • Acetic acid, 2-phenoxy-, ethyl ester
  • Acetic acid, phenoxy-, ethyl ester
  • Ethyl phenoxyacetate
  • Phenoxyacetic acid ethyl ester

Work with Ethyl 2-phenoxyacetate

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

Phenoxyacetic anhydride14316-61-165 % similar Methyl 2-phenoxyacetate2065-23-864 % similar Ethyl 2-(2-methylphenoxy)acetate93917-68-162 % similar Allyl phenoxyacetate7493-74-559 % similar Ethyl phenylacetate101-97-359 % similar Ethyl 3-phenylpropanoate2021-28-557 % similar N-Phenylglycine ethyl ester2216-92-454 % similar Ethyl benzoylacetate94-02-054 % 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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