(2-butylphenyl)-diphenyl-propylphosphanium

C25H30P+ — CID 174142547

IUPAC(2-butylphenyl)-diphenyl-propylphosphanium
SMILESCCCCc1ccccc1[P+](CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P/c1-3-5-14-22-15-12-13-20-25(22)26(21-4-2,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-13,15-20H,3-5,14,21H2,1-2H3/q+1
InChIKeyFERGBBVKKNRPCG-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.73
Rot. Bonds8

About (2-butylphenyl)-diphenyl-propylphosphanium

(2-butylphenyl)-diphenyl-propylphosphanium (PubChem CID 174142547) has the molecular formula C25H30P+ and a molecular weight of 361.49 g/mol. Its IUPAC name is (2-butylphenyl)-diphenyl-propylphosphanium.

Molecular Properties

Compound Name(2-butylphenyl)-diphenyl-propylphosphanium
PubChem CID174142547
Molecular FormulaC25H30P+
Molecular Weight361.49 g/mol
Exact Mass361.21
IUPAC Name(2-butylphenyl)-diphenyl-propylphosphanium
SMILESCCCCc1ccccc1[P+](CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P/c1-3-5-14-22-15-12-13-20-25(22)26(21-4-2,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-13,15-20H,3-5,14,21H2,1-2H3/q+1
InChIKeyFERGBBVKKNRPCG-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(ethoxymethyl)phenyl]-diphenyl-propylphosphanium
CID 170234353
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
butyl-(2-iodophenyl)-diphenylphosphanium
CID 160745725
(2-octylphenyl)methyl-triphenylphosphanium
CID 90019944
hexyl(triphenyl)phosphanium
CID 2724570
6-(4-butylphenyl)hexyl-triphenylphosphanium
CID 129304665
CID 159940559
CID 159940559
triphenyl(undecyl)phosphanium chloride
CID 22921220
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-diphenyl-propylphosphanium?
The IUPAC name of (2-butylphenyl)-diphenyl-propylphosphanium (CID 174142547) is (2-butylphenyl)-diphenyl-propylphosphanium.
What is the SMILES notation for (2-butylphenyl)-diphenyl-propylphosphanium?
The canonical SMILES for (2-butylphenyl)-diphenyl-propylphosphanium is CCCCc1ccccc1[P+](CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butylphenyl)-diphenyl-propylphosphanium?
The InChIKey is FERGBBVKKNRPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30P/c1-3-5-14-22-15-12-13-20-25(22)26(21-4-2,23-16-8-6-9-17-23)24-18-10-7-11-19-24/h6-13,15-20H,3-5,14,21H2,1-2H3/q+1.
What are the key properties of (2-butylphenyl)-diphenyl-propylphosphanium?
(2-butylphenyl)-diphenyl-propylphosphanium has a molecular weight of 361.49 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-diphenyl-propylphosphanium is sourced from PubChem (CID 174142547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).