3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium

C34H39NO2P+ — CID 170869428

IUPAC3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
SMILESc1ccc([P+](CCCOc2ccccc2CCCN2CCOCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H39NO2P/c1-4-16-31(17-5-1)38(32-18-6-2-7-19-32,33-20-8-3-9-21-33)29-13-26-37-34-22-11-10-14-30(34)15-12-23-35-24-27-36-28-25-35/h1-11,14,16-22H,12-13,15,23-29H2/q+1
InChIKeyALBFYMQFKRALNY-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.71
Rot. Bonds12

About 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium

3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium (PubChem CID 170869428) has the molecular formula C34H39NO2P+ and a molecular weight of 524.67 g/mol. Its IUPAC name is 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium.

Molecular Properties

Compound Name3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
PubChem CID170869428
Molecular FormulaC34H39NO2P+
Molecular Weight524.67 g/mol
Exact Mass524.27
IUPAC Name3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
SMILESc1ccc([P+](CCCOc2ccccc2CCCN2CCOCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H39NO2P/c1-4-16-31(17-5-1)38(32-18-6-2-7-19-32,33-20-8-3-9-21-33)29-13-26-37-34-22-11-10-14-30(34)15-12-23-35-24-27-36-28-25-35/h1-11,14,16-22H,12-13,15,23-29H2/q+1
InChIKeyALBFYMQFKRALNY-UHFFFAOYSA-N
XLogP5.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium?
The IUPAC name of 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium (CID 170869428) is 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium.
What is the SMILES notation for 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium?
The canonical SMILES for 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium is c1ccc([P+](CCCOc2ccccc2CCCN2CCOCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium?
The InChIKey is ALBFYMQFKRALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO2P/c1-4-16-31(17-5-1)38(32-18-6-2-7-19-32,33-20-8-3-9-21-33)29-13-26-37-34-22-11-10-14-30(34)15-12-23-35-24-27-36-28-25-35/h1-11,14,16-22H,12-13,15,23-29H2/q+1.
What are the key properties of 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium?
3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium has a molecular weight of 524.67 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium is sourced from PubChem (CID 170869428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).