benzyl-hexyl-diphenylphosphanium chloride

C25H30ClP — CID 139486895

IUPACbenzyl-hexyl-diphenylphosphanium chloride
SMILESCCCCCC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H30P.ClH/c1-2-3-4-14-21-26(24-17-10-6-11-18-24,25-19-12-7-13-20-25)22-23-15-8-5-9-16-23;/h5-13,15-20H,2-4,14,21-22H2,1H3;1H/q+1;/p-1
InChIKeyIDDWLSKCTXLJNW-UHFFFAOYSA-M
MW396.94 g/mol
LogP3.44
Rot. Bonds9

About benzyl-hexyl-diphenylphosphanium chloride

benzyl-hexyl-diphenylphosphanium chloride (PubChem CID 139486895) has the molecular formula C25H30ClP and a molecular weight of 396.94 g/mol. Its IUPAC name is benzyl-hexyl-diphenylphosphanium chloride.

Molecular Properties

Compound Namebenzyl-hexyl-diphenylphosphanium chloride
PubChem CID139486895
Molecular FormulaC25H30ClP
Molecular Weight396.94 g/mol
Exact Mass396.18
IUPAC Namebenzyl-hexyl-diphenylphosphanium chloride
SMILESCCCCCC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H30P.ClH/c1-2-3-4-14-21-26(24-17-10-6-11-18-24,25-19-12-7-13-20-25)22-23-15-8-5-9-16-23;/h5-13,15-20H,2-4,14,21-22H2,1H3;1H/q+1;/p-1
InChIKeyIDDWLSKCTXLJNW-UHFFFAOYSA-M
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane
CID 158974758
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
benzyl-decyl-dimethylphosphanium chloride
CID 67153395
dibenzyl(didecyl)phosphanium
CID 69307785
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
triphenyl(undecyl)phosphanium chloride
CID 22921220
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
hexyl(triphenyl)phosphanium
CID 2724570

Frequently Asked Questions

What is the IUPAC name of benzyl-hexyl-diphenylphosphanium chloride?
The IUPAC name of benzyl-hexyl-diphenylphosphanium chloride (CID 139486895) is benzyl-hexyl-diphenylphosphanium chloride.
What is the SMILES notation for benzyl-hexyl-diphenylphosphanium chloride?
The canonical SMILES for benzyl-hexyl-diphenylphosphanium chloride is CCCCCC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of benzyl-hexyl-diphenylphosphanium chloride?
The InChIKey is IDDWLSKCTXLJNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H30P.ClH/c1-2-3-4-14-21-26(24-17-10-6-11-18-24,25-19-12-7-13-20-25)22-23-15-8-5-9-16-23;/h5-13,15-20H,2-4,14,21-22H2,1H3;1H/q+1;/p-1.
What are the key properties of benzyl-hexyl-diphenylphosphanium chloride?
benzyl-hexyl-diphenylphosphanium chloride has a molecular weight of 396.94 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-hexyl-diphenylphosphanium chloride is sourced from PubChem (CID 139486895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).