2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol

C18H22NO2P — CID 155698696

IUPAC2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
SMILESO=P(CC(O)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c20-18(17-12-7-13-19-17)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2
InChIKeyZBQJKMQPFIDLGQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.11
Rot. Bonds5

About 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol

2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol (PubChem CID 155698696) has the molecular formula C18H22NO2P and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
PubChem CID155698696
Molecular FormulaC18H22NO2P
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
SMILESO=P(CC(O)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c20-18(17-12-7-13-19-17)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2
InChIKeyZBQJKMQPFIDLGQ-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
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 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol (CID 155698696) is 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol is O=P(CC(O)C1CCCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol?
The InChIKey is ZBQJKMQPFIDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2P/c20-18(17-12-7-13-19-17)14-22(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-20H,7,12-14H2.
What are the key properties of 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol?
2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol has a molecular weight of 315.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 155698696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).