2-Diphenylphosphoryl-1-morpholin-4-ylethanone

C18H20NO3P — CID 608571

IUPAC2-diphenylphosphoryl-1-morpholin-4-ylethanone
SMILESC1COCCN1C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H20NO3P/c20-18(19-11-13-22-14-12-19)15-23(21,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyZOISVKUTONYVPX-UHFFFAOYSA-N
MW329.30 g/mol
LogP1.60
Rot. Bonds4

About 2-Diphenylphosphoryl-1-morpholin-4-ylethanone

2-Diphenylphosphoryl-1-morpholin-4-ylethanone (PubChem CID 608571) has the molecular formula C18H20NO3P and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-Diphenylphosphoryl-1-morpholin-4-ylethanone
PubChem CID608571
Molecular FormulaC18H20NO3P
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC Name2-diphenylphosphoryl-1-morpholin-4-ylethanone
SMILESC1COCCN1C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H20NO3P/c20-18(19-11-13-22-14-12-19)15-23(21,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyZOISVKUTONYVPX-UHFFFAOYSA-N
XLogP1.60
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity414

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.60
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
4-(Diphenylphosphorylmethyl)morpholine
CID 359291
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
(2-Oxo-2-morpholino)ethyltriphenylphosphonium
CID 173753
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
4-(Diphenylphosphanyl)morpholine
CID 14148960
4-[2-(Diphenylphosphoryl)ethyl]morpholine
CID 693954
4-Bis(4-fluorophenyl)phosphorylmorpholine
CID 177036090
Diphenylphosphorylthioformic acid morpholide
CID 12077037
(1-Morpholinoethyl)diphenylphosphine oxide
CID 13349585

Frequently Asked Questions

What is the IUPAC name of 2-Diphenylphosphoryl-1-morpholin-4-ylethanone?
The IUPAC name of 2-Diphenylphosphoryl-1-morpholin-4-ylethanone (CID 608571) is 2-diphenylphosphoryl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-Diphenylphosphoryl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-Diphenylphosphoryl-1-morpholin-4-ylethanone is C1COCCN1C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3.
What is the InChIKey of 2-Diphenylphosphoryl-1-morpholin-4-ylethanone?
The InChIKey is ZOISVKUTONYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3P/c20-18(19-11-13-22-14-12-19)15-23(21,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-Diphenylphosphoryl-1-morpholin-4-ylethanone?
2-Diphenylphosphoryl-1-morpholin-4-ylethanone has a molecular weight of 329.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Diphenylphosphoryl-1-morpholin-4-ylethanone is sourced from PubChem (CID 608571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).