4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium

C19H25NO3P+ — CID 793164

IUPAC4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium
SMILESC[N+]1(CCOP(=O)(c2ccccc2)c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO3P/c1-20(12-15-22-16-13-20)14-17-23-24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3/q+1
InChIKeyLELURBDAJIEQFH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.41
Rot. Bonds6

About 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium

4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium (PubChem CID 793164) has the molecular formula C19H25NO3P+ and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium
PubChem CID793164
Molecular FormulaC19H25NO3P+
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium
SMILESC[N+]1(CCOP(=O)(c2ccccc2)c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO3P/c1-20(12-15-22-16-13-20)14-17-23-24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3/q+1
InChIKeyLELURBDAJIEQFH-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium (CID 793164) is 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium is C[N+]1(CCOP(=O)(c2ccccc2)c2ccccc2)CCOCC1.
What is the InChIKey of 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium?
The InChIKey is LELURBDAJIEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3P/c1-20(12-15-22-16-13-20)14-17-23-24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3/q+1.
What are the key properties of 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium?
4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium has a molecular weight of 346.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diphenylphosphoryloxyethyl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 793164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).