hydroxy-octyl-diphenylphosphanium

C20H28OP+ — CID 67135899

IUPAChydroxy-octyl-diphenylphosphanium
SMILESCCCCCCCC[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,2-6,13,18H2,1H3/q+1
InChIKeyCQYLIZGOFZYIKL-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.92
Rot. Bonds9

About hydroxy-octyl-diphenylphosphanium

hydroxy-octyl-diphenylphosphanium (PubChem CID 67135899) has the molecular formula C20H28OP+ and a molecular weight of 315.42 g/mol. Its IUPAC name is hydroxy-octyl-diphenylphosphanium.

Molecular Properties

Compound Namehydroxy-octyl-diphenylphosphanium
PubChem CID67135899
Molecular FormulaC20H28OP+
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namehydroxy-octyl-diphenylphosphanium
SMILESCCCCCCCC[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,2-6,13,18H2,1H3/q+1
InChIKeyCQYLIZGOFZYIKL-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
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

hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
decyl-dimethyl-phenylphosphanium
CID 67813887
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
phenol;trihexyl(tetradecyl)phosphanium
CID 139300494
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723
dodecyl-diethyl-phenylphosphanium
CID 23177091
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228

Frequently Asked Questions

What is the IUPAC name of hydroxy-octyl-diphenylphosphanium?
The IUPAC name of hydroxy-octyl-diphenylphosphanium (CID 67135899) is hydroxy-octyl-diphenylphosphanium.
What is the SMILES notation for hydroxy-octyl-diphenylphosphanium?
The canonical SMILES for hydroxy-octyl-diphenylphosphanium is CCCCCCCC[P+](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-octyl-diphenylphosphanium?
The InChIKey is CQYLIZGOFZYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21H,2-6,13,18H2,1H3/q+1.
What are the key properties of hydroxy-octyl-diphenylphosphanium?
hydroxy-octyl-diphenylphosphanium has a molecular weight of 315.42 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-octyl-diphenylphosphanium is sourced from PubChem (CID 67135899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).