phenol;trihexyl(tetradecyl)phosphanium

C38H74OP+ — CID 139300494

IUPACphenol;trihexyl(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.Oc1ccccc1
InChIInChI=1S/C32H68P.C6H6O/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;7-6-4-2-1-3-5-6/h5-32H2,1-4H3;1-5,7H/q+1;
InChIKeyNWZCTVHISAYVBF-UHFFFAOYSA-N
MW577.98 g/mol
LogP13.84
Rot. Bonds28

About phenol;trihexyl(tetradecyl)phosphanium

phenol;trihexyl(tetradecyl)phosphanium (PubChem CID 139300494) has the molecular formula C38H74OP+ and a molecular weight of 577.98 g/mol. Its IUPAC name is phenol;trihexyl(tetradecyl)phosphanium.

Molecular Properties

Compound Namephenol;trihexyl(tetradecyl)phosphanium
PubChem CID139300494
Molecular FormulaC38H74OP+
Molecular Weight577.98 g/mol
Exact Mass577.55
IUPAC Namephenol;trihexyl(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.Oc1ccccc1
InChIInChI=1S/C32H68P.C6H6O/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;7-6-4-2-1-3-5-6/h5-32H2,1-4H3;1-5,7H/q+1;
InChIKeyNWZCTVHISAYVBF-UHFFFAOYSA-N
XLogP13.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.98
LogP ≤ 513.84
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'}

Analyze phenol;trihexyl(tetradecyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenol;tetrabutylphosphanium
CID 20524943
dodecane;phenol
CID 157210063
hexane-1,1-diamine;phenol
CID 174607848
hexadecan-1-amine;phenol
CID 175347138
tetrakis(nonane);phenol;zirconium(4+)
CID 88632131
hexylphosphane;phenol
CID 174816842
benzene-1,2-diol;tetrabutylphosphanium;hydroxide
CID 68855891
hexyl(triphenyl)phosphanium
CID 2724570
dibenzyl(didecyl)phosphanium
CID 69307785
dodecylbenzene;phenol
CID 159734519
hydroxy-octyl-diphenylphosphanium
CID 67135899
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of phenol;trihexyl(tetradecyl)phosphanium?
The IUPAC name of phenol;trihexyl(tetradecyl)phosphanium (CID 139300494) is phenol;trihexyl(tetradecyl)phosphanium.
What is the SMILES notation for phenol;trihexyl(tetradecyl)phosphanium?
The canonical SMILES for phenol;trihexyl(tetradecyl)phosphanium is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.Oc1ccccc1.
What is the InChIKey of phenol;trihexyl(tetradecyl)phosphanium?
The InChIKey is NWZCTVHISAYVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P.C6H6O/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;7-6-4-2-1-3-5-6/h5-32H2,1-4H3;1-5,7H/q+1;.
What are the key properties of phenol;trihexyl(tetradecyl)phosphanium?
phenol;trihexyl(tetradecyl)phosphanium has a molecular weight of 577.98 g/mol, XLogP of 13.84, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;trihexyl(tetradecyl)phosphanium is sourced from PubChem (CID 139300494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).