chempirical

4-Ethoxybenzoic acid

C9H10O3CAS 619-86-3166.18 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
197–199 °C
logP
1.78Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
619-86-3
SMILES
CCOc1ccc(C(=O)O)cc1
InChIKey
SHSGDXCJYVZFTP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-ethoxy-
  • Benzoic acid, p-ethoxy-
  • p-Ethoxybenzoic acid
  • ACS 0393
  • NSC 8705
  • 4-Ethyloxybenzoic acid

Work with 4-Ethoxybenzoic acid

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

4-Propoxybenzoic acid5438-19-775 % similar 4-Butoxybenzoic acid1498-96-071 % similar 4-(Pentyloxy)benzoic acid15872-41-069 % similar 4-(Hexyloxy)benzoic acid1142-39-867 % similar 4-(Heptyloxy)benzoic acid15872-42-167 % similar 4-(Nonyloxy)benzoic acid15872-43-267 % similar 4-(Undecyloxy)benzoic acid15872-44-367 % similar 4-(Dodecyloxy)benzoic acid2312-15-467 % 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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