chempirical

4-Phenoxybutyric acid

C10H12O3CAS 6303-58-8180.20 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
59.5 °C
Boiling point
180–185 °C (at 12 Torr)
logP
1.93Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
6303-58-8
SMILES
O=C(O)CCCOc1ccccc1
InChIKey
YKYVPFIBWVQZCE-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, 4-phenoxy-
  • Butyric acid, 4-phenoxy-
  • 4-Phenoxybutanoic acid
  • γ-Phenoxybutyric acid
  • NSC 43294
  • NSC 64178

Work with 4-Phenoxybutyric 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-Phenoxypropionic acid7170-38-980 % similar Phenoxyacetic acid122-59-863 % similar Benzenepentanoic acid2270-20-458 % similar δ-Oxobenzenepentanoic acid1501-05-957 % similar 8-Phenyloctanoic acid26547-51-356 % similar Benzenepentadecanoic acid40228-93-156 % similar 3-(4-Fluorophenoxy)propanoic acid1579-78-854 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-554 % 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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