chempirical

Dodecyl 4-hydroxybenzoate

C19H30O3CAS 2664-60-0306.45 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C19H30O3
Molar mass
306.45 g/mol
Exact mass
306.2195 Da
logP
5.47Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
12

Identifiers

CAS number
2664-60-0
SMILES
CCCCCCCCCCCCOC(=O)c1ccc(O)cc1
InChIKey
BAYSQTBAJQRACX-UHFFFAOYSA-N
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 4-hydroxy-, dodecyl ester
  • Benzoic acid, p-hydroxy-, dodecyl ester
  • Dodecyl p-hydroxybenzoate
  • Lauryl p-hydroxybenzoate
  • n-Dodecyl p-hydroxybenzoate
  • Lauryl 4-hydroxybenzoate
  • p-Hydroxybenzoic acid dodecyl ester
  • NSC 309822
  • POB-C 12

Work with Dodecyl 4-hydroxybenzoate

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

Hexyl 4-hydroxybenzoate1083-27-8100 % similar Heptylparaben1085-12-7100 % similar Octyl P-hydroxybenzoate1219-38-1100 % similar Pentyl P-hydroxybenzoate6521-29-597 % similar Butylparaben94-26-888 % similar Propylparaben94-13-377 % similar Hexyl benzoate6789-88-470 % similar Octyl benzoate94-50-870 % similar

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

Same formula

Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate149105-26-0 4-(Dodecyloxy)benzoic acid2312-15-4 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one53-39-4

Elsewhere

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