chempirical

(S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate

C22H20O3CAS 95061-51-1332.40 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C22H20O3
Molar mass
332.40 g/mol
Exact mass
332.1412 Da
logP
4.23Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

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
95061-51-1
SMILES
CC(=O)O[C@@H](C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChIKey
GXLZCXZLVDUDHP-NRFANRHFSA-N
InChI
InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-

Work with (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(+)-2-Hydroxy-1,2,2-triphenylethyl acetate95061-47-5Enantiomer

Similar compounds

Rosephenone90-17-562 % similar Phenylmethanediol diacetate581-55-554 % similar 1-Phenylethyl acetate93-92-551 % similar (-)-O-Acetylmandelic acid51019-43-350 % similar O-Acetylmandelic acid5438-68-650 % similar (+)-O-Acetyl-L-mandelic Acid7322-88-550 % similar 1-(Chloroformyl)benzyl acetate1638-63-747 % similar Benzoin acetate574-06-147 % similar

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

Same formula

1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-4 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook