(2S)-1,1,2-triphenylethane-1,2-diol

C20H18O2 — CID 7000031

IUPAC(2S)-1,1,2-triphenylethane-1,2-diol
SMILESO[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=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
InChIKeyGWVWUZJOQHWMFB-IBGZPJMESA-N
MW290.36 g/mol
LogP3.66
Rot. Bonds4

About (2S)-1,1,2-triphenylethane-1,2-diol

(2S)-1,1,2-triphenylethane-1,2-diol (PubChem CID 7000031) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-1,1,2-triphenylethane-1,2-diol.

Molecular Properties

Compound Name(2S)-1,1,2-triphenylethane-1,2-diol
PubChem CID7000031
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(2S)-1,1,2-triphenylethane-1,2-diol
SMILESO[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=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
InChIKeyGWVWUZJOQHWMFB-IBGZPJMESA-N
XLogP3.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
Benzopinacol
CID 94766
Hydrobenzoin
CID 95447
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
(R,R)-Hydrobenzoin
CID 853019
4,4',4''-Trimethyltrityl alcohol
CID 76733

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,2-triphenylethane-1,2-diol?
The IUPAC name of (2S)-1,1,2-triphenylethane-1,2-diol (CID 7000031) is (2S)-1,1,2-triphenylethane-1,2-diol.
What is the SMILES notation for (2S)-1,1,2-triphenylethane-1,2-diol?
The canonical SMILES for (2S)-1,1,2-triphenylethane-1,2-diol is O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1,1,2-triphenylethane-1,2-diol?
The InChIKey is GWVWUZJOQHWMFB-IBGZPJMESA-N. The full InChI is 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.
What are the key properties of (2S)-1,1,2-triphenylethane-1,2-diol?
(2S)-1,1,2-triphenylethane-1,2-diol has a molecular weight of 290.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,2-triphenylethane-1,2-diol is sourced from PubChem (CID 7000031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).