(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol

C22H20O3 — CID 14061039

IUPAC(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol
SMILESC=C(O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=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/h2-16,21,23-24H,1H2/t21-/m0/s1
InChIKeyQWZMTLHCOHBZKL-NRFANRHFSA-N
MW332.40 g/mol
LogP4.71
Rot. Bonds6

About (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol

(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol (PubChem CID 14061039) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol
PubChem CID14061039
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol
SMILESC=C(O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=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/h2-16,21,23-24H,1H2/t21-/m0/s1
InChIKeyQWZMTLHCOHBZKL-NRFANRHFSA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[3,3,3-trifluoro-2-hydroxy-1-phenyl-2-(trifluoromethyl)propyl] 2-methylprop-2-enoate
CID 129120853
1-O-ethyl 4-O-[(1R)-2-hydroxy-1,2,2-triphenylethyl] 2-hydroxy-2-(3-methylbut-2-enyl)butanedioate
CID 71227933
(2S)-3-methyl-1,1-diphenyl-2-sulfanylbut-3-en-1-ol
CID 166858466
[(1R)-2-hydroxy-1,2,2-triphenylethyl] (3S,5R)-3-hydroxy-5-(2-methoxyethoxymethoxy)hexanoate
CID 14201848
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
CID 15527869
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993
3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 11308302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol?
The IUPAC name of (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol (CID 14061039) is (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol.
What is the SMILES notation for (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol?
The canonical SMILES for (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol is C=C(O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol?
The InChIKey is QWZMTLHCOHBZKL-NRFANRHFSA-N. The full InChI is 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/h2-16,21,23-24H,1H2/t21-/m0/s1.
What are the key properties of (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol?
(2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol has a molecular weight of 332.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxyethenoxy)-1,1,2-triphenylethanol is sourced from PubChem (CID 14061039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).