diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol

C17H20NO+ — CID 7045370

IUPACdiphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1
InChIInChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/p+1/t16-/m1/s1
InChIKeyOGCGXUGBDJGFFY-MRXNPFEDSA-O
MW254.35 g/mol
LogP1.65
Rot. Bonds3

About diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol

diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol (PubChem CID 7045370) has the molecular formula C17H20NO+ and a molecular weight of 254.35 g/mol. Its IUPAC name is diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Namediphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
PubChem CID7045370
Molecular FormulaC17H20NO+
Molecular Weight254.35 g/mol
Exact Mass254.15
IUPAC Namediphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1
InChIInChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/p+1/t16-/m1/s1
InChIKeyOGCGXUGBDJGFFY-MRXNPFEDSA-O
XLogP1.65
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The IUPAC name of diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol (CID 7045370) is diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol.
What is the SMILES notation for diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The canonical SMILES for diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol is OC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1.
What is the InChIKey of diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The InChIKey is OGCGXUGBDJGFFY-MRXNPFEDSA-O. The full InChI is InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/p+1/t16-/m1/s1.
What are the key properties of diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol has a molecular weight of 254.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2R)-pyrrolidin-1-ium-2-yl]methanol is sourced from PubChem (CID 7045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).