chempirical

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

C20H18O2CAS 108998-83-0290.36 g/mol

Open in Covalent MOL file
OHHO
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

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

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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

Similar compounds

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-752 % similar 2,2,2-Trichloro-1-phenylethanol2000-43-352 % similar 2,2,2-Trifluoro-1-phenylethanol340-04-552 % similar 2,2,2-Trifluoro-1-phenylethanol340-05-652 % similar (+)-2,2,2-Trifluoro-1-phenylethanol340-06-752 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-052 % similar α-[(1S)-1-Aminoethyl]-α-phenylbenzenemethanol78603-91-547 % similar 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-544 % similar

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

Same formula

1,1-Bis(4-hydroxyphenyl)-1-phenylethane1571-75-1 Hydroquinone dibenzyl ether621-91-0

Elsewhere

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