chempirical

2-Ethylhexyl 4-hydroxybenzoate

C15H22O3CAS 5153-25-3250.34 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
logP
3.77Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
5153-25-3
SMILES
CCCCC(CC)COC(=O)c1ccc(O)cc1
InChIKey
VTIMKVIDORQQFA-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3

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

Names and synonyms

6 names
  • Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester
  • Benzoic acid, p-hydroxy-, 2-ethylhexyl ester
  • 2-Ethylhexyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid 2-ethylhexyl ester
  • Ethylhexyl p-hydroxybenzoate
  • EH-PB

Work with 2-Ethylhexyl 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

Bis(2-ethylhexyl) terephthalate6422-86-284 % similar 2-Ethylhexyl P-aminobenzoate26218-04-273 % similar Padimate O21245-02-370 % similar Trioctyl trimellitate3319-31-167 % similar Ethylhexyl triazone88122-99-065 % similar Butylparaben94-26-864 % similar Bis(2-ethylhexyl) phthalate117-81-764 % similar Pentyl P-hydroxybenzoate6521-29-563 % similar

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

Same formula

2-Ethylhexyl salicylate118-60-5 Octyl P-hydroxybenzoate1219-38-1 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-4 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-6 Nardosinone23720-80-1 Octyloxybenzoic acid2493-84-7 Gemfibrozil25812-30-0 N-Octyl salicylate6969-49-9

Elsewhere

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