octyl(triphenyl)phosphanium phenoxide

C32H37OP — CID 18355967

IUPACoctyl(triphenyl)phosphanium phenoxide
SMILESCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C26H32P.C6H6O/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;7-6-4-2-1-3-5-6/h7-15,17-22H,2-6,16,23H2,1H3;1-5,7H/q+1;/p-1
InChIKeyOQUSNFXCZCPBSF-UHFFFAOYSA-M
MW468.62 g/mol
LogP7.10
Rot. Bonds10

About octyl(triphenyl)phosphanium phenoxide

octyl(triphenyl)phosphanium phenoxide (PubChem CID 18355967) has the molecular formula C32H37OP and a molecular weight of 468.62 g/mol. Its IUPAC name is octyl(triphenyl)phosphanium phenoxide.

Molecular Properties

Compound Nameoctyl(triphenyl)phosphanium phenoxide
PubChem CID18355967
Molecular FormulaC32H37OP
Molecular Weight468.62 g/mol
Exact Mass468.26
IUPAC Nameoctyl(triphenyl)phosphanium phenoxide
SMILESCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C26H32P.C6H6O/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;7-6-4-2-1-3-5-6/h7-15,17-22H,2-6,16,23H2,1H3;1-5,7H/q+1;/p-1
InChIKeyOQUSNFXCZCPBSF-UHFFFAOYSA-M
XLogP7.10
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794

Frequently Asked Questions

What is the IUPAC name of octyl(triphenyl)phosphanium phenoxide?
The IUPAC name of octyl(triphenyl)phosphanium phenoxide (CID 18355967) is octyl(triphenyl)phosphanium phenoxide.
What is the SMILES notation for octyl(triphenyl)phosphanium phenoxide?
The canonical SMILES for octyl(triphenyl)phosphanium phenoxide is CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of octyl(triphenyl)phosphanium phenoxide?
The InChIKey is OQUSNFXCZCPBSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H32P.C6H6O/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;7-6-4-2-1-3-5-6/h7-15,17-22H,2-6,16,23H2,1H3;1-5,7H/q+1;/p-1.
What are the key properties of octyl(triphenyl)phosphanium phenoxide?
octyl(triphenyl)phosphanium phenoxide has a molecular weight of 468.62 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octyl(triphenyl)phosphanium phenoxide is sourced from PubChem (CID 18355967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).