ethyl-methyl-phenyl-propylphosphanium

C12H20P+ — CID 2785204

IUPACethyl-methyl-phenyl-propylphosphanium
SMILESCCC[P+](C)(CC)c1ccccc1
InChIInChI=1S/C12H20P/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/q+1
InChIKeyMLNUQQKWSVQNKH-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.39
Rot. Bonds4

About ethyl-methyl-phenyl-propylphosphanium

ethyl-methyl-phenyl-propylphosphanium (PubChem CID 2785204) has the molecular formula C12H20P+ and a molecular weight of 195.27 g/mol. Its IUPAC name is ethyl-methyl-phenyl-propylphosphanium.

Molecular Properties

Compound Nameethyl-methyl-phenyl-propylphosphanium
PubChem CID2785204
Molecular FormulaC12H20P+
Molecular Weight195.27 g/mol
Exact Mass195.13
IUPAC Nameethyl-methyl-phenyl-propylphosphanium
SMILESCCC[P+](C)(CC)c1ccccc1
InChIInChI=1S/C12H20P/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/q+1
InChIKeyMLNUQQKWSVQNKH-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.39
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

methyl-phenyl-dipropylphosphanium
CID 70584071
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
decyl-dimethyl-phenylphosphanium
CID 67813887

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-phenyl-propylphosphanium?
The IUPAC name of ethyl-methyl-phenyl-propylphosphanium (CID 2785204) is ethyl-methyl-phenyl-propylphosphanium.
What is the SMILES notation for ethyl-methyl-phenyl-propylphosphanium?
The canonical SMILES for ethyl-methyl-phenyl-propylphosphanium is CCC[P+](C)(CC)c1ccccc1.
What is the InChIKey of ethyl-methyl-phenyl-propylphosphanium?
The InChIKey is MLNUQQKWSVQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20P/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/q+1.
What are the key properties of ethyl-methyl-phenyl-propylphosphanium?
ethyl-methyl-phenyl-propylphosphanium has a molecular weight of 195.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-phenyl-propylphosphanium is sourced from PubChem (CID 2785204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).