chempirical

(R)-(+)-1,1,2-Triphenyl-1,2-ethanediol

C20H18O2CAS 95061-46-4290.36 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C20H18O2
Molar mass
290.36 g/mol
Exact mass
290.1307 Da
logP
3.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Rin 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
95061-46-4
SMILES
C1=CC=C(C=C1)[C@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
InChIKey
GWVWUZJOQHWMFB-LJQANCHMSA-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-/m1/s1

Weigh it out

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

Work with (R)-(+)-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.

(2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-0Enantiomer

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

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