butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium

C26H31NOP+ — CID 159856873

IUPACbutyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C26H31NOP/c1-2-3-22-29(23-12-6-4-7-13-23,24-14-8-5-9-15-24)26-17-11-10-16-25(26)27-18-20-28-21-19-27/h4-17H,2-3,18-22H2,1H3/q+1
InChIKeyNQQGTZXGDIDFKA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.62
Rot. Bonds7

About butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium

butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium (PubChem CID 159856873) has the molecular formula C26H31NOP+ and a molecular weight of 404.51 g/mol. Its IUPAC name is butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium.

Molecular Properties

Compound Namebutyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium
PubChem CID159856873
Molecular FormulaC26H31NOP+
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namebutyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C26H31NOP/c1-2-3-22-29(23-12-6-4-7-13-23,24-14-8-5-9-15-24)26-17-11-10-16-25(26)27-18-20-28-21-19-27/h4-17H,2-3,18-22H2,1H3/q+1
InChIKeyNQQGTZXGDIDFKA-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium?
The IUPAC name of butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium (CID 159856873) is butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium.
What is the SMILES notation for butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium?
The canonical SMILES for butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium is CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1N1CCOCC1.
What is the InChIKey of butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium?
The InChIKey is NQQGTZXGDIDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NOP/c1-2-3-22-29(23-12-6-4-7-13-23,24-14-8-5-9-15-24)26-17-11-10-16-25(26)27-18-20-28-21-19-27/h4-17H,2-3,18-22H2,1H3/q+1.
What are the key properties of butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium?
butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium has a molecular weight of 404.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium is sourced from PubChem (CID 159856873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).