3-Fluoro-4-N-octyloxybenzoic acid

C₁₅H₂₁FO₃CAS 326-78-3268.33 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₅H₂₁FO₃
Molar mass: 268.33 g/mol
Exact mass: 268.1475 Da
logP: 4.26Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

326-78-3

SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F

InChIKey

SQVFTDZEUGEJTQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H21FO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10H2,1H3,(H,17,18)

Weigh it out

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

Work with 3-Fluoro-4-N-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 acid1142-39-862 % similar 4-(Heptyloxy)benzoic acid15872-42-162 % similar 4-(Nonyloxy)benzoic acid15872-43-262 % similar 4-Undecyloxybenzoic acid15872-44-362 % similar 4-(Dodecyloxy)benzoic acid2312-15-462 % similar Octyloxybenzoic acid2493-84-762 % similar 4-(Decyloxy)benzoic acid5519-23-362 % similar 4-(Pentyloxy)benzoic acid15872-41-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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