4-(4-Phenylbutoxy)benzoic acid

C₁₇H₁₈O₃CAS 30131-16-9270.33 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₁₈O₃
Molar mass: 270.33 g/mol
Exact mass: 270.1256 Da
logP: 3.79Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

30131-16-9

SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)O

InChIKey

XWCWFMQMZZPALR-UHFFFAOYSA-N

InChI

InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)

Weigh it out

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

Work with 4-(4-Phenylbutoxy)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-(Benzyloxy)benzoic acid1486-51-770 % similar 4-(Pentyloxy)benzoic acid15872-41-067 % similar 4-(Hexyloxy)benzoic acid1142-39-865 % similar 4-(Heptyloxy)benzoic acid15872-42-165 % similar 4-(Nonyloxy)benzoic acid15872-43-265 % similar 4-Undecyloxybenzoic acid15872-44-365 % similar 4-(Dodecyloxy)benzoic acid2312-15-465 % similar Octyloxybenzoic acid2493-84-765 % similar

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

Same formula

2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-2 Resveratrol trimethyl ether22255-22-7 2,4-Dihydroxy-5-tert-butylbenzophenone4211-67-0

Elsewhere

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