chempirical

4-Methoxybenzenebutanoic acid

C11H14O3CAS 4521-28-2194.23 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
56–59 °C
Boiling point
205–206 °C (at 13 Torr)
logP
2.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
4521-28-2
SMILES
COc1ccc(CCCC(=O)O)cc1
InChIKey
LZHMNCJMXQKSBY-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

7 names
  • Benzenebutanoic acid, 4-methoxy-
  • Butyric acid, 4-(p-methoxyphenyl)-
  • Butyric acid, γ-(p-methoxyphenyl)-
  • 4-(p-Methoxyphenyl)butyric acid
  • 4-(4-Methoxyphenyl)butyric acid
  • 4-(4-Methoxyphenyl)butanoic acid
  • NSC 407553

Work with 4-Methoxybenzenebutanoic 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

3-(4-Methoxyphenyl)propionic acid1929-29-981 % similar (4-Methoxyphenyl)acetic acid104-01-868 % similar 4-Methoxyphenoxyacetic acid1877-75-463 % similar 4-Methylbenzenebutanoic acid4521-22-663 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-461 % similar 4-Hydroxybenzenebutanoic acid7021-11-660 % similar 4-(4-Fluorophenyl)butanoic acid589-06-058 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-957 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook