4-(Decyloxy)benzoic acid

C₁₇H₂₆O₃CAS 5519-23-3278.39 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₂₆O₃
Molar mass: 278.39 g/mol
Exact mass: 278.1882 Da
Melting point: 94–133 °C
logP: 4.90Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 11

Identifiers

CAS number

5519-23-3

SMILES

CCCCCCCCCCOc1ccc(C(=O)O)cc1

InChIKey

NZNICZRIRMGOFG-UHFFFAOYSA-N

InChI

InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 4-(decyloxy)-
Benzoic acid, p-(decyloxy)-
p-(n-Decyloxy)benzoic acid
p-(Decyloxy)benzoic acid
4-(n-Decyloxy)benzoic acid

Work with 4-(Decyloxy)benzoic 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 Octyloxybenzoic acid2493-84-7100 % 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

3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-5 Paradol27113-22-0

Elsewhere

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