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

C22H20O3CAS 95061-51-1332.40 g/mol

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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.

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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

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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

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