chempirical

Octyloxybenzoic acid

C15H22O3CAS 2493-84-7250.34 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
Melting point
100.9 °C
logP
4.12Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
9

Identifiers

CAS number
2493-84-7
SMILES
CCCCCCCCOc1ccc(C(=O)O)cc1
InChIKey
IALWCYFULVHLEC-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 4-(octyloxy)-
  • Benzoic acid, p-(octyloxy)-
  • 4-(Octyloxy)benzoic acid
  • p-(n-Octyloxy)benzoic acid
  • p-(Octyloxy)benzoic acid
  • p-Octoxybenzoic acid
  • 4-n-Octyloxybenzoic acid
  • p-(n-Octoxy)benzoic acid
  • NSC 142138

Work with Octyloxybenzoic 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-(Hexyloxy)benzoic acid1142-39-8100 % similar 4-(Heptyloxy)benzoic acid15872-42-1100 % similar 4-(Nonyloxy)benzoic acid15872-43-2100 % similar 4-(Undecyloxy)benzoic acid15872-44-3100 % similar 4-(Dodecyloxy)benzoic acid2312-15-4100 % similar 4-(Decyloxy)benzoic acid5519-23-3100 % similar 4-(Pentyloxy)benzoic acid15872-41-097 % similar 4-Butoxybenzoic acid1498-96-088 % 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 Gemfibrozil25812-30-0 2-Ethylhexyl 4-hydroxybenzoate5153-25-3 N-Octyl salicylate6969-49-9

Elsewhere

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