chempirical

4-(4′-Hexylphenyl)benzoic acid

C19H22O2CAS 59662-48-5282.38 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C19H22O2
Molar mass
282.38 g/mol
Exact mass
282.1620 Da
logP
5.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
59662-48-5
SMILES
CCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey
ROJCBWVSXWIGAL-UHFFFAOYSA-N
InChI
InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)

Weigh it out

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

Names and synonyms

5 names
  • [1,1′-Biphenyl]-4-carboxylic acid, 4′-hexyl-
  • 4′-Hexyl[1,1′-biphenyl]-4-carboxylic acid
  • 4-Hexylbiphenyl-4′-carboxylic acid
  • 4′-Hexylbiphenyl-4-carboxylic acid
  • 4′-Hexyl-1,1′-biphenyl-4-carboxylic acid

Work with 4-(4′-Hexylphenyl)benzoic 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′-Heptylbiphenyl-4-carboxylic acid58573-94-7100 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-497 % similar 4-Hexylbenzoic acid21643-38-991 % similar 4-Octylbenzoic acid3575-31-391 % similar 4-Heptylbenzoic acid38350-87-791 % similar 4-Pentylbenzoic acid26311-45-588 % similar 4-Butylbenzoic acid20651-71-279 % similar 4-Propylbenzoic acid2438-05-368 % similar

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

Same formula

Androsta-1,4,6-triene-3,17-dione633-35-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook