4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine

C15H20N3O2P — CID 674500

IUPAC4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine
SMILESCCn1ccnc1P(=O)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H20N3O2P/c1-2-17-9-8-16-15(17)21(19,14-6-4-3-5-7-14)18-10-12-20-13-11-18/h3-9H,2,10-13H2,1H3
InChIKeyZWLXSVARMYRVCO-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.46
Rot. Bonds4

About 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine

4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine (PubChem CID 674500) has the molecular formula C15H20N3O2P and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine
PubChem CID674500
Molecular FormulaC15H20N3O2P
Molecular Weight305.32 g/mol
Exact Mass305.13
IUPAC Name4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine
SMILESCCn1ccnc1P(=O)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H20N3O2P/c1-2-17-9-8-16-15(17)21(19,14-6-4-3-5-7-14)18-10-12-20-13-11-18/h3-9H,2,10-13H2,1H3
InChIKeyZWLXSVARMYRVCO-UHFFFAOYSA-N
XLogP1.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.46
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-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine (CID 674500) is 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine is CCn1ccnc1P(=O)(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine?
The InChIKey is ZWLXSVARMYRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3O2P/c1-2-17-9-8-16-15(17)21(19,14-6-4-3-5-7-14)18-10-12-20-13-11-18/h3-9H,2,10-13H2,1H3.
What are the key properties of 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine?
4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine has a molecular weight of 305.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)-phenylphosphoryl]morpholine is sourced from PubChem (CID 674500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).