methyl-phenyl-dipropylphosphanium

C13H22P+ — CID 70584071

IUPACmethyl-phenyl-dipropylphosphanium
SMILESCCC[P+](C)(CCC)c1ccccc1
InChIInChI=1S/C13H22P/c1-4-11-14(3,12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1
InChIKeyKVCZGAVWAROBTJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.78
Rot. Bonds5

About methyl-phenyl-dipropylphosphanium

methyl-phenyl-dipropylphosphanium (PubChem CID 70584071) has the molecular formula C13H22P+ and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl-phenyl-dipropylphosphanium.

Molecular Properties

Compound Namemethyl-phenyl-dipropylphosphanium
PubChem CID70584071
Molecular FormulaC13H22P+
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namemethyl-phenyl-dipropylphosphanium
SMILESCCC[P+](C)(CCC)c1ccccc1
InChIInChI=1S/C13H22P/c1-4-11-14(3,12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1
InChIKeyKVCZGAVWAROBTJ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.78
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

ethyl-methyl-phenyl-propylphosphanium
CID 2785204
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
diphenyl(dipropyl)phosphanium chloride
CID 69307646
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
1-bromopropyl(triphenyl)phosphanium
CID 22011137
dichlorophosphanyl-diphenyl-propylphosphanium
CID 175287406
pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
triethyl(phenyl)phosphanium chloride
CID 21464749
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
diethyl(diphenyl)phosphanium hydroxide
CID 18407746
diphenylphosphanyl-diphenyl-propylphosphanium
CID 88639997

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-dipropylphosphanium?
The IUPAC name of methyl-phenyl-dipropylphosphanium (CID 70584071) is methyl-phenyl-dipropylphosphanium.
What is the SMILES notation for methyl-phenyl-dipropylphosphanium?
The canonical SMILES for methyl-phenyl-dipropylphosphanium is CCC[P+](C)(CCC)c1ccccc1.
What is the InChIKey of methyl-phenyl-dipropylphosphanium?
The InChIKey is KVCZGAVWAROBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22P/c1-4-11-14(3,12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1.
What are the key properties of methyl-phenyl-dipropylphosphanium?
methyl-phenyl-dipropylphosphanium has a molecular weight of 209.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-dipropylphosphanium is sourced from PubChem (CID 70584071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).