4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine

C17H26NO4P — CID 11198557

IUPAC4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H26NO4P/c1-3-21-23(19,22-4-2)17(18-12-14-20-15-13-18)11-10-16-8-6-5-7-9-16/h5-11,17H,3-4,12-15H2,1-2H3/b11-10+
InChIKeyYLFATNYGQWWHCU-ZHACJKMWSA-N
MW339.37 g/mol
LogP3.62
Rot. Bonds8

About 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine

4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine (PubChem CID 11198557) has the molecular formula C17H26NO4P and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
PubChem CID11198557
Molecular FormulaC17H26NO4P
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H26NO4P/c1-3-21-23(19,22-4-2)17(18-12-14-20-15-13-18)11-10-16-8-6-5-7-9-16/h5-11,17H,3-4,12-15H2,1-2H3/b11-10+
InChIKeyYLFATNYGQWWHCU-ZHACJKMWSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine (CID 11198557) is 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine is CCOP(=O)(OCC)C(/C=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine?
The InChIKey is YLFATNYGQWWHCU-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H26NO4P/c1-3-21-23(19,22-4-2)17(18-12-14-20-15-13-18)11-10-16-8-6-5-7-9-16/h5-11,17H,3-4,12-15H2,1-2H3/b11-10+.
What are the key properties of 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine?
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine has a molecular weight of 339.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine is sourced from PubChem (CID 11198557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).