[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium

C19H24NO2+ — CID 174262060

IUPAC[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium
SMILESC[N+](C)(O)C[C@H]1CCOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2/c1-20(2,21)15-18-13-14-22-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,21H,13-15H2,1-2H3/q+1/t18-/m1/s1
InChIKeyKNSGIAAMKUVJFJ-GOSISDBHSA-N
MW298.41 g/mol
LogP3.43
Rot. Bonds4

About [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium

[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium (PubChem CID 174262060) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium.

Molecular Properties

Compound Name[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium
PubChem CID174262060
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium
SMILESC[N+](C)(O)C[C@H]1CCOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2/c1-20(2,21)15-18-13-14-22-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,21H,13-15H2,1-2H3/q+1/t18-/m1/s1
InChIKeyKNSGIAAMKUVJFJ-GOSISDBHSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2,2-diphenyloxolan-3-yl)methyl-dimethylazanium
CID 171736715
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
1-(2,2-diphenyloxolan-3-yl)ethanamine
CID 126485677
(2S)-2-methyl-2-phenyloxirane
CID 11629614
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 175258328
1-N,1-N,1-N',1-N'-tetramethyl-2-(2-phenyl-1,3-dioxolan-2-yl)ethene-1,1-diamine
CID 134923479
(2R,3R)-2-tert-butyl-3-iodo-2-phenyloxolane
CID 53242306
(2-ethyl-1-prop-1-en-2-ylcyclopropyl)benzene
CID 143150696
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium?
The IUPAC name of [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium (CID 174262060) is [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium.
What is the SMILES notation for [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium?
The canonical SMILES for [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium is C[N+](C)(O)C[C@H]1CCOC1(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium?
The InChIKey is KNSGIAAMKUVJFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24NO2/c1-20(2,21)15-18-13-14-22-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,21H,13-15H2,1-2H3/q+1/t18-/m1/s1.
What are the key properties of [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium?
[(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium has a molecular weight of 298.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,2-diphenyloxolan-3-yl]methyl-hydroxy-dimethylazanium is sourced from PubChem (CID 174262060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).