(2S)-1,1,2-Triphenyl-1,2-ethanediol

C20H18O2CAS 108998-83-0290.36 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C20H18O2
Molar mass
290.36 g/mol
Exact mass
290.1307 Da
Melting point
127–128 °C
logP
3.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
108998-83-0
SMILES
O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIKey
GWVWUZJOQHWMFB-IBGZPJMESA-N
InChI
InChI=1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • 1,2-Ethanediol, 1,1,2-triphenyl-, (2S)-
  • 1,2-Ethanediol, 1,1,2-triphenyl-, (S)-
  • (S)-1,1,2-Triphenyl-1,2-ethanediol
  • (2S)-1,1,2-Triphenylethane-1,2-diol
  • 1,2-Ethanediol 1,1,2-triphenyl-, (2S)-
  • (S)-(-)-1,1,2-Triphenyl-1,2-ethanediol

Work with (2S)-1,1,2-Triphenyl-1,2-ethanediol

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)-(+)-1,1,2-Triphenyl-1,2-ethanediol95061-46-4Enantiomer

Similar compounds

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-752 % similar 2,2,2-Trichloro-1-phenylethanol2000-43-352 % similar (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-04-552 % similar (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-05-652 % similar (+)-2,2,2-Trifluoro-1-phenylethanol340-06-752 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-052 % similar (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol78603-95-948 % similar (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol86695-06-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4'-(1-Phenylethylidene)bisphenol1571-75-1 1,3-Dibenzyloxybenzene3769-42-4 Hydroquinone dibenzyl ether621-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook