chempirical

4-Butoxybenzoic acid

C11H14O3CAS 1498-96-0194.23 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
147–150 °C
logP
2.56Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
1498-96-0
SMILES
CCCCOc1ccc(C(=O)O)cc1
InChIKey
LAUFPZPAKULAGB-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 4-butoxy-
  • Benzoic acid, p-butoxy-
  • p-Butoxybenzoic acid
  • p-(Butyloxy)benzoic acid
  • p-(n-Butyloxy)benzoic acid
  • p-(n-Butoxy)benzoic acid
  • 4-(Butyloxy)benzoic acid
  • 4-(n-Butoxy)benzoic acid
  • NSC 60247

Work with 4-Butoxybenzoic 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-(Pentyloxy)benzoic acid15872-41-091 % similar 4-(Hexyloxy)benzoic acid1142-39-888 % similar 4-(Heptyloxy)benzoic acid15872-42-188 % similar 4-(Nonyloxy)benzoic acid15872-43-288 % similar 4-(Undecyloxy)benzoic acid15872-44-388 % similar 4-(Dodecyloxy)benzoic acid2312-15-488 % similar Octyloxybenzoic acid2493-84-788 % similar 4-(Decyloxy)benzoic acid5519-23-388 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

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