2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol

C18H18NO3P — CID 2307049

IUPAC2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol
SMILESO=P1(NCCO)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H18NO3P/c20-12-11-19-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14,20H,11-12H2,(H,19,21)
InChIKeyOFCHPSVTRUKGAU-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.87
Rot. Bonds5

About 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol

2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol (PubChem CID 2307049) has the molecular formula C18H18NO3P and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol
PubChem CID2307049
Molecular FormulaC18H18NO3P
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol
SMILESO=P1(NCCO)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H18NO3P/c20-12-11-19-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14,20H,11-12H2,(H,19,21)
InChIKeyOFCHPSVTRUKGAU-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.87
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-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol?
The IUPAC name of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol (CID 2307049) is 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol is O=P1(NCCO)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol?
The InChIKey is OFCHPSVTRUKGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO3P/c20-12-11-19-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14,20H,11-12H2,(H,19,21).
What are the key properties of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol?
2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol has a molecular weight of 327.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethanol is sourced from PubChem (CID 2307049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).