4-(Dodecyloxy)benzoic acid

C₁₉H₃₀O₃CAS 2312-15-4306.45 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₉H₃₀O₃
Molar mass: 306.45 g/mol
Exact mass: 306.2195 Da
Melting point: 95 °C
logP: 5.68Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 13

Identifiers

CAS number

2312-15-4

SMILES

CCCCCCCCCCCCOc1ccc(C(=O)O)cc1

InChIKey

ALQLYJHDBAKLBB-UHFFFAOYSA-N

InChI

InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)

Weigh it out

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

Names and synonyms

6 names

NSC 411
Benzoic acid, 4-(dodecyloxy)-
Benzoic acid, p-(dodecyloxy)-
p-(Dodecyloxy)benzoic acid
4-(n-Dodecyloxy)benzoic acid
p-n-Dodecyloxybenzoic acid

Work with 4-(Dodecyloxy)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 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

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

Same formula

Dodecyl 4-hydroxybenzoate2664-60-0 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one53-39-4

Elsewhere

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