4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine

C13H20NO3P — CID 567718

IUPAC4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine
SMILESCCOP(=O)(CN1CCOCC1)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
InChIKeyVCWYJVPGILPCQT-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.92
Rot. Bonds5

About 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine

4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine (PubChem CID 567718) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine.

Molecular Properties

Compound Name4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine
PubChem CID567718
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine
SMILESCCOP(=O)(CN1CCOCC1)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
InChIKeyVCWYJVPGILPCQT-UHFFFAOYSA-N
XLogP1.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[ethoxy(phenyl)phosphoryl]methyl]morpholine?
The IUPAC name of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine (CID 567718) is 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine.
What is the SMILES notation for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine?
The canonical SMILES for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine is CCOP(=O)(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine?
The InChIKey is VCWYJVPGILPCQT-UHFFFAOYSA-N. 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.
What are the key properties of 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine?
4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine has a molecular weight of 269.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(phenyl)phosphoryl]methyl]morpholine is sourced from PubChem (CID 567718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).