chempirical

4-Nonylbenzoic acid

C16H24O2CAS 38289-46-2248.37 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C16H24O2
Molar mass
248.37 g/mol
Exact mass
248.1776 Da
logP
4.68Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

Identifiers

CAS number
38289-46-2
SMILES
CCCCCCCCCC1=CC=C(C=C1)C(=O)O
InChIKey
FLRVNGMVEBEPQG-UHFFFAOYSA-N
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13H,2-9H2,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

6 names
  • BENZOIC ACID, p-NONYL-
  • 4-n-Nonylbenzoic acid
  • Benzoic acid, 4-nonyl-
  • 4-Nonylbenzoicacid
  • p-Nonylbenzoic acid
  • 4-Nonylbenzenecarboxylic acid

Work with 4-Nonylbenzoic 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-Hexylbenzoic acid21643-38-9100 % similar 4-Octylbenzoic acid3575-31-3100 % similar 4-Heptylbenzoic acid38350-87-7100 % similar 4-Pentylbenzoic acid26311-45-597 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-791 % similar 4-(4′-Hexylphenyl)benzoic acid59662-48-591 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-488 % similar 4-Butylbenzoic acid20651-71-287 % similar

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

Same formula

3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone14035-33-7 2-Ethyl-2-adamantyl methacrylate209982-56-9 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-4

Elsewhere

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