chempirical

4-Dodecylresorcinol

C18H30O2CAS 24305-56-4278.44 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C18H30O2
Molar mass
278.44 g/mol
Exact mass
278.2246 Da
Melting point
78 °C
logP
5.56Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

Identifiers

CAS number
24305-56-4
SMILES
CCCCCCCCCCCCc1ccc(O)cc1O
InChIKey
JJWVPHWHEGQZOE-UHFFFAOYSA-N
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenediol, 4-dodecyl-
  • Resorcinol, 4-dodecyl-
  • 4-Dodecyl-1,3-benzenediol
  • NKO 15
  • 4-Laurylresorcinol

Work with 4-Dodecylresorcinol

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

Hexylresorcinol136-77-6100 % similar 4-Butylresorcinol18979-61-887 % similar 4-Propylresorcinol18979-60-774 % similar Amylmetacresol1300-94-366 % similar 4-Ethylresorcinol2896-60-859 % similar 1-Nonyl-4-phenol104-40-558 % similar 4-N-Octylphenol1806-26-458 % similar 4-N-Heptylphenol1987-50-458 % similar

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

Same formula

Alpha-linolenic acid463-40-1 Gamma-linolenic acid506-26-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook