4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid

C₂₀H₃₂O₃CAS 50772-35-5320.47 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₂₀H₃₂O₃
Molar mass: 320.47 g/mol
Exact mass: 320.2351 Da
logP: 5.31Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

Identifiers

CAS number

50772-35-5

SMILES

CCC(C)(C)c1ccc(OCCCC(=O)O)c(C(C)(C)CC)c1

InChIKey

LZSDVFDKDUZVFK-UHFFFAOYSA-N

InChI

InChI=1S/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22)

Weigh it out

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

Names and synonyms

3 names

Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Butyric acid, 4-(2,4-di-tert-pentylphenoxy)-
2,4-Di-tert-amylphenoxybutyric acid

Work with 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic 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

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid13402-96-574 % similar Mcpb94-81-547 % similar 2,4-Db94-82-646 % similar 4-Phenoxybutyric acid6303-58-842 % similar 2-(1,1-Dimethylpropyl)-9,10-anthracenedione32588-54-839 % similar Diphenolic acid126-00-137 % similar Clinofibrate30299-08-237 % similar 3,4-Diethoxybenzeneacetic acid38464-04-936 % similar

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

Same formula

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid13403-01-5 Ginkgoneolic acid20261-38-5

Elsewhere

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