hydroxy-di(nonoxy)-phenylphosphanium

C24H44O3P+ — CID 172838526

IUPAChydroxy-di(nonoxy)-phenylphosphanium
SMILESCCCCCCCCCO[P+](O)(OCCCCCCCCC)c1ccccc1
InChIInChI=1S/C24H44O3P/c1-3-5-7-9-11-13-18-22-26-28(25,24-20-16-15-17-21-24)27-23-19-14-12-10-8-6-4-2/h15-17,20-21,25H,3-14,18-19,22-23H2,1-2H3/q+1
InChIKeyFSJBNGFRZHZEBL-UHFFFAOYSA-N
MW411.59 g/mol
LogP7.60
Rot. Bonds19

About hydroxy-di(nonoxy)-phenylphosphanium

hydroxy-di(nonoxy)-phenylphosphanium (PubChem CID 172838526) has the molecular formula C24H44O3P+ and a molecular weight of 411.59 g/mol. Its IUPAC name is hydroxy-di(nonoxy)-phenylphosphanium.

Molecular Properties

Compound Namehydroxy-di(nonoxy)-phenylphosphanium
PubChem CID172838526
Molecular FormulaC24H44O3P+
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Namehydroxy-di(nonoxy)-phenylphosphanium
SMILESCCCCCCCCCO[P+](O)(OCCCCCCCCC)c1ccccc1
InChIInChI=1S/C24H44O3P/c1-3-5-7-9-11-13-18-22-26-28(25,24-20-16-15-17-21-24)27-23-19-14-12-10-8-6-4-2/h15-17,20-21,25H,3-14,18-19,22-23H2,1-2H3/q+1
InChIKeyFSJBNGFRZHZEBL-UHFFFAOYSA-N
XLogP7.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.60
H-Bond Donors ≤ 51
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

didecoxy-hydroxy-phenylphosphanium
CID 70413003
octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
hydroxy-octyl-diphenylphosphanium
CID 67135899
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
pentoxycarbonyl(triphenyl)phosphanium
CID 172731908
1-(N-tetradecoxyanilino)propan-1-ol
CID 174639561
2,2-di(undecoxy)ethylbenzene
CID 3023162
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
hexyl(triphenyl)phosphanium
CID 2724570
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of hydroxy-di(nonoxy)-phenylphosphanium?
The IUPAC name of hydroxy-di(nonoxy)-phenylphosphanium (CID 172838526) is hydroxy-di(nonoxy)-phenylphosphanium.
What is the SMILES notation for hydroxy-di(nonoxy)-phenylphosphanium?
The canonical SMILES for hydroxy-di(nonoxy)-phenylphosphanium is CCCCCCCCCO[P+](O)(OCCCCCCCCC)c1ccccc1.
What is the InChIKey of hydroxy-di(nonoxy)-phenylphosphanium?
The InChIKey is FSJBNGFRZHZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3P/c1-3-5-7-9-11-13-18-22-26-28(25,24-20-16-15-17-21-24)27-23-19-14-12-10-8-6-4-2/h15-17,20-21,25H,3-14,18-19,22-23H2,1-2H3/q+1.
What are the key properties of hydroxy-di(nonoxy)-phenylphosphanium?
hydroxy-di(nonoxy)-phenylphosphanium has a molecular weight of 411.59 g/mol, XLogP of 7.60, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-di(nonoxy)-phenylphosphanium is sourced from PubChem (CID 172838526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).