4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium

C13H21NO3P+ — CID 11864416

IUPAC4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
SMILESCCO[P@](=O)(C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C13H20NO3P/c1-2-17-18(15,13-6-4-3-5-7-13)12-14-8-10-16-11-9-14/h3-7H,2,8-12H2,1H3/p+1/t18-/m1/s1
InChIKeyVCWYJVPGILPCQT-GOSISDBHSA-O
MW270.29 g/mol
LogP0.50
Rot. Bonds5

About 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium

4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium (PubChem CID 11864416) has the molecular formula C13H21NO3P+ and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
PubChem CID11864416
Molecular FormulaC13H21NO3P+
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
SMILESCCO[P@](=O)(C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C13H20NO3P/c1-2-17-18(15,13-6-4-3-5-7-13)12-14-8-10-16-11-9-14/h3-7H,2,8-12H2,1H3/p+1/t18-/m1/s1
InChIKeyVCWYJVPGILPCQT-GOSISDBHSA-O
XLogP0.50
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium (CID 11864416) is 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium is CCO[P@](=O)(C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium?
The InChIKey is VCWYJVPGILPCQT-GOSISDBHSA-O. The full InChI is InChI=1S/C13H20NO3P/c1-2-17-18(15,13-6-4-3-5-7-13)12-14-8-10-16-11-9-14/h3-7H,2,8-12H2,1H3/p+1/t18-/m1/s1.
What are the key properties of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium?
4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium has a molecular weight of 270.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium is sourced from PubChem (CID 11864416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).