chempirical

Methyl 4-ethoxybenzoate

C10H12O3CAS 23676-08-6180.20 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
37.5–38 °C
Boiling point
260 °C
logP
1.87Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
23676-08-6
SMILES
CCOc1ccc(C(=O)OC)cc1
InChIKey
RNHXTCZZACTEMK-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4-ethoxy-, methyl ester
  • Benzoic acid, p-ethoxy-, methyl ester
  • Methyl p-ethoxybenzoate
  • NSC 8378
  • Methyl 4-ethyloxybenzoate

Work with Methyl 4-ethoxybenzoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 4-ethoxybenzoate23676-09-772 % similar Dimethyl terephthalate120-61-664 % similar Methyl anisate121-98-263 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-759 % similar 4-Ethoxybenzamide55836-71-059 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-558 % similar 4-Ethoxybenzoyl chloride16331-46-757 % similar 4-Ethoxybenzoic acid619-86-357 % 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

PubChem CAS Common Chemistry NIST WebBook