(1-Morpholinoethyl)diphenylphosphine oxide

C18H22NO2P — CID 13349585

IUPAC4-(1-diphenylphosphorylethyl)morpholine
SMILESCC(N1CCOCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H22NO2P/c1-16(19-12-14-21-15-13-19)22(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyQDWRFWURDMSPAM-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.70
Rot. Bonds4

About (1-Morpholinoethyl)diphenylphosphine oxide

(1-Morpholinoethyl)diphenylphosphine oxide (PubChem CID 13349585) has the molecular formula C18H22NO2P and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-(1-diphenylphosphorylethyl)morpholine.

Molecular Properties

Compound Name(1-Morpholinoethyl)diphenylphosphine oxide
PubChem CID13349585
Molecular FormulaC18H22NO2P
Molecular Weight315.30 g/mol
Exact Mass315.14
IUPAC Name4-(1-diphenylphosphorylethyl)morpholine
SMILESCC(N1CCOCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H22NO2P/c1-16(19-12-14-21-15-13-19)22(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyQDWRFWURDMSPAM-UHFFFAOYSA-N
XLogP2.70
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diphenylphosphoryl)ethoxy]-N,N-dimethylethanamine
CID 1919755
2-Diphenylphosphoryl-1-morpholin-4-ylethanone
CID 608571
4-(Diphenylphosphorylmethyl)morpholine
CID 359291
(2-Oxo-2-morpholino)ethyltriphenylphosphonium
CID 173753
Ethanamine, N,N-bis[2-(diphenylphosphino)ethyl]-2-methoxy-
CID 11340989
4-(Diphenylphosphanyl)morpholine
CID 14148960
4-[2-(Diphenylphosphoryl)ethyl]morpholine
CID 693954
(E)-2-diphenylphosphoryl-3-morpholin-4-ylbut-2-enenitrile
CID 2366712
Bis(4-fluorophenyl)-morpholin-4-ylphosphane
CID 176370744
Bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 177036089
4-Bis(4-fluorophenyl)phosphorylmorpholine
CID 177036090
Phosphinic acid, (4-morpholylmethyl)phenyl-, ethyl ester
CID 567718

Frequently Asked Questions

What is the IUPAC name of (1-Morpholinoethyl)diphenylphosphine oxide?
The IUPAC name of (1-Morpholinoethyl)diphenylphosphine oxide (CID 13349585) is 4-(1-diphenylphosphorylethyl)morpholine.
What is the SMILES notation for (1-Morpholinoethyl)diphenylphosphine oxide?
The canonical SMILES for (1-Morpholinoethyl)diphenylphosphine oxide is CC(N1CCOCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.
What is the InChIKey of (1-Morpholinoethyl)diphenylphosphine oxide?
The InChIKey is QDWRFWURDMSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2P/c1-16(19-12-14-21-15-13-19)22(20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3.
What are the key properties of (1-Morpholinoethyl)diphenylphosphine oxide?
(1-Morpholinoethyl)diphenylphosphine oxide has a molecular weight of 315.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Morpholinoethyl)diphenylphosphine oxide is sourced from PubChem (CID 13349585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).