4-(Nonyloxy)benzoic acid

C₁₆H₂₄O₃CAS 15872-43-2264.37 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₆H₂₄O₃
Molar mass: 264.37 g/mol
Exact mass: 264.1725 Da
Melting point: 118 °C
logP: 4.51Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 10

Identifiers

CAS number

15872-43-2

SMILES

CCCCCCCCCOc1ccc(C(=O)O)cc1

InChIKey

BOZLUAUKDKKZHJ-UHFFFAOYSA-N

InChI

InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 4-(nonyloxy)-
Benzoic acid, p-(nonyloxy)-
p-(Nonyloxy)benzoic acid
p,n-Nonyloxybenzoic acid
4-Nonyloxybenzoic acid
p-(n-Nonoxy)benzoic acid
4-n-Nonyloxybenzoic acid

Work with 4-(Nonyloxy)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-(Undecyloxy)benzoic acid15872-44-3100 % 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

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

Same formula

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-6 Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-0

Elsewhere

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