chempirical

3,3,3-Triphenylpropionic acid

C21H18O2CAS 900-91-4302.37 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C21H18O2
Molar mass
302.37 g/mol
Exact mass
302.1307 Da
logP
4.50Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

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
900-91-4
SMILES
C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChIKey
XMSJLUKCGWQAHO-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)

Weigh it out

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

Work with 3,3,3-Triphenylpropionic 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-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid2168-06-165 % similar Trt-gly-oh5893-05-055 % similar S-Trityl-3-mercaptopropionic acid27144-18-951 % similar Phenylacetic acid103-82-250 % similar Benzenepentanoic acid2270-20-450 % similar 9-Phenylnonanoic acid16269-06-048 % similar 8-Phenyloctanoic acid26547-51-348 % similar 7-Phenyl heptanoic acid40228-90-848 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook