4-(2-diphenylphosphorylethyl)morpholine

C18H22NO2P — CID 693954

IUPAC4-(2-diphenylphosphorylethyl)morpholine
SMILESO=P(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c20-22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-13-19-11-14-21-15-12-19/h1-10H,11-16H2
InChIKeyKYDKEYKWARMFBJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.33
Rot. Bonds5

About 4-(2-diphenylphosphorylethyl)morpholine

4-(2-diphenylphosphorylethyl)morpholine (PubChem CID 693954) has the molecular formula C18H22NO2P and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(2-diphenylphosphorylethyl)morpholine.

Molecular Properties

Compound Name4-(2-diphenylphosphorylethyl)morpholine
PubChem CID693954
Molecular FormulaC18H22NO2P
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-(2-diphenylphosphorylethyl)morpholine
SMILESO=P(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c20-22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-13-19-11-14-21-15-12-19/h1-10H,11-16H2
InChIKeyKYDKEYKWARMFBJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.33
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
4,4'-(Phenylphosphanediyl)bis(morpholine)
CID 305831
4-(Diphenylphosphanyl)morpholine
CID 14148960
(E)-2-diphenylphosphoryl-3-morpholin-4-ylbut-2-enenitrile
CID 2366712
Morpholinophenylphosphinic acid
CID 70520200
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 4-(2-diphenylphosphorylethyl)morpholine?
The IUPAC name of 4-(2-diphenylphosphorylethyl)morpholine (CID 693954) is 4-(2-diphenylphosphorylethyl)morpholine.
What is the SMILES notation for 4-(2-diphenylphosphorylethyl)morpholine?
The canonical SMILES for 4-(2-diphenylphosphorylethyl)morpholine is O=P(CCN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-diphenylphosphorylethyl)morpholine?
The InChIKey is KYDKEYKWARMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2P/c20-22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)16-13-19-11-14-21-15-12-19/h1-10H,11-16H2.
What are the key properties of 4-(2-diphenylphosphorylethyl)morpholine?
4-(2-diphenylphosphorylethyl)morpholine has a molecular weight of 315.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diphenylphosphorylethyl)morpholine is sourced from PubChem (CID 693954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).