chempirical

4-Propoxybenzoic acid

C10H12O3CAS 5438-19-7180.20 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
144–146 °C
logP
2.17Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
5438-19-7
SMILES
CCCOc1ccc(C(=O)O)cc1
InChIKey
GDFUWFOCYZZGQU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-propoxy-
  • Benzoic acid, p-propoxy-
  • p-Propoxybenzoic acid
  • p-(n-Propoxy)benzoic acid
  • NSC 16632
  • 4-Propyloxybenzoic acid

Work with 4-Propoxybenzoic 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-Butoxybenzoic acid1498-96-082 % similar 4-(Pentyloxy)benzoic acid15872-41-079 % similar 4-(Hexyloxy)benzoic acid1142-39-877 % similar 4-(Heptyloxy)benzoic acid15872-42-177 % similar 4-(Nonyloxy)benzoic acid15872-43-277 % similar 4-(Undecyloxy)benzoic acid15872-44-377 % similar 4-(Dodecyloxy)benzoic acid2312-15-477 % similar Octyloxybenzoic acid2493-84-777 % 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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