α-(2-Bromoethyl)-α-phenylbenzeneacetic acid

C₁₆H₁₅BrO₂CAS 37742-98-6319.20 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₆H₁₅BrO₂
Molar mass: 319.20 g/mol
Exact mass: 318.0255 Da
logP: 3.84Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Identifiers

CAS number

37742-98-6

SMILES

O=C(O)C(CCBr)(c1ccccc1)c1ccccc1

InChIKey

GFIYIIRFIODLLU-UHFFFAOYSA-N

InChI

InChI=1S/C16H15BrO2/c17-12-11-16(15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, α-(2-bromoethyl)-α-phenyl-
4-Bromo-2,2-diphenylbutyric acid
4-Bromo-2,2-diphenylbutanoic acid

Work with α-(2-Bromoethyl)-α-phenylbenzeneacetic 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

1-Phenylcyclopropanecarboxylic acid6120-95-255 % similar 1-Phenylcyclopentanecarboxylic acid77-55-451 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-750 % similar Triphenylacetic acid595-91-550 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-047 % similar 2-Ethyl-2-phenylbutyric acid5465-28-146 % similar 2,2-Diphenylglycine3060-50-246 % similar 2,2-Diphenylpropionic acid5558-66-746 % similar

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

Same formula

2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone35081-45-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook