chempirical

Methyl 4-methoxybenzeneacetate

C10H12O3CAS 23786-14-3180.20 g/mol

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OOO
EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Boiling point
158 °C (at 19 Torr)
logP
1.41Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
23786-14-3
SMILES
COC(=O)Cc1ccc(OC)cc1
InChIKey
ZQYLDVNTWDEAJI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3

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Names and synonyms

9 names
  • Benzeneacetic acid, 4-methoxy-, methyl ester
  • Acetic acid, (p-methoxyphenyl)-, methyl ester
  • Methyl (4-methoxyphenyl)acetate
  • Methyl (p-methoxyphenyl)acetate
  • Methyl 2-(p-methoxyphenyl)acetate
  • (4-Methoxyphenyl)acetic acid methyl ester
  • Methyl 4-anisoleacetate
  • 4-Methoxybenzeneacetic acid methyl ester
  • Methyl 2-(4-methoxyphenyl)acetate

Work with Methyl 4-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

Ethyl p-methoxyphenylacetate14062-18-168 % similar p-Tolylacetic acid methyl ester23786-13-266 % similar Methyl phenylacetate101-41-765 % similar Methyl (4-hydroxyphenyl)acetate14199-15-664 % similar Methyl (4-bromophenyl)acetate41841-16-164 % similar Methyl 4-chlorobenzeneacetate52449-43-164 % similar 4-Methoxyphenylacetone122-84-961 % similar Methyl 4-pyridineacetate29800-89-361 % 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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