[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol

C23H24NO2P — CID 12028261

IUPAC[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1N1CCC[C@H]1CO
InChIInChI=1S/C23H24NO2P/c25-18-19-10-9-17-24(19)22-15-7-8-16-23(22)27(26,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,11-16,19,25H,9-10,17-18H2/t19-/m0/s1
InChIKeyQSYKLLPYQWOASY-IBGZPJMESA-N
MW377.42 g/mol
LogP3.29
Rot. Bonds5

About [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 12028261) has the molecular formula C23H24NO2P and a molecular weight of 377.42 g/mol. Its IUPAC name is [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol
PubChem CID12028261
Molecular FormulaC23H24NO2P
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1N1CCC[C@H]1CO
InChIInChI=1S/C23H24NO2P/c25-18-19-10-9-17-24(19)22-15-7-8-16-23(22)27(26,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,11-16,19,25H,9-10,17-18H2/t19-/m0/s1
InChIKeyQSYKLLPYQWOASY-IBGZPJMESA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol (CID 12028261) is [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol is O=P(c1ccccc1)(c1ccccc1)c1ccccc1N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is QSYKLLPYQWOASY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24NO2P/c25-18-19-10-9-17-24(19)22-15-7-8-16-23(22)27(26,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,11-16,19,25H,9-10,17-18H2/t19-/m0/s1.
What are the key properties of [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 377.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-diphenylphosphorylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 12028261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).