4-(Undecyloxy)benzoic acid

C₁₈H₂₈O₃CAS 15872-44-3292.42 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₈H₂₈O₃
Molar mass: 292.42 g/mol
Exact mass: 292.2038 Da
Melting point: 121 °C
logP: 5.29Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 12

Identifiers

CAS number

15872-44-3

SMILES

CCCCCCCCCCCOc1ccc(C(=O)O)cc1

InChIKey

NEJZHJHZOUISSH-UHFFFAOYSA-N

InChI

InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 4-(undecyloxy)-
Benzoic acid, p-(undecyloxy)-
p-n-Undecyloxybenzoic acid

Work with 4-(Undecyloxy)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-(Heptyloxy)benzoic acid15872-42-1100 % similar 4-(Nonyloxy)benzoic acid15872-43-2100 % similar 4-(Dodecyloxy)benzoic acid2312-15-4100 % similar Octyloxybenzoic acid2493-84-7100 % similar 4-(Decyloxy)benzoic acid5519-23-3100 % similar 4-(Pentyloxy)benzoic acid15872-41-097 % similar 4-Butoxybenzoic acid1498-96-088 % similar 4-Propoxybenzoic acid5438-19-777 % similar

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

Same formula

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid13402-96-5 Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-5

Elsewhere

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