diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone

C23H22NO2P — CID 152573672

IUPACdiphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO2P/c25-23(19-13-15-20(16-14-19)24-17-7-8-18-24)27(26,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-18H2
InChIKeyYSAFXAOZAXWMSG-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.44
Rot. Bonds5

About diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone

diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 152573672) has the molecular formula C23H22NO2P and a molecular weight of 375.41 g/mol. Its IUPAC name is diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID152573672
Molecular FormulaC23H22NO2P
Molecular Weight375.41 g/mol
Exact Mass375.14
IUPAC Namediphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO2P/c25-23(19-13-15-20(16-14-19)24-17-7-8-18-24)27(26,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-18H2
InChIKeyYSAFXAOZAXWMSG-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
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 diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone (CID 152573672) is diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCC2)cc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is YSAFXAOZAXWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO2P/c25-23(19-13-15-20(16-14-19)24-17-7-8-18-24)27(26,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-18H2.
What are the key properties of diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone?
diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 375.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 152573672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).