trimethyl(2-phenylethyl)phosphanium

C11H18P+ — CID 10777798

IUPACtrimethyl(2-phenylethyl)phosphanium
SMILESC[P+](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyNNELVYLPFSUPAE-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.14
Rot. Bonds3

About trimethyl(2-phenylethyl)phosphanium

trimethyl(2-phenylethyl)phosphanium (PubChem CID 10777798) has the molecular formula C11H18P+ and a molecular weight of 181.24 g/mol. Its IUPAC name is trimethyl(2-phenylethyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(2-phenylethyl)phosphanium
PubChem CID10777798
Molecular FormulaC11H18P+
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Nametrimethyl(2-phenylethyl)phosphanium
SMILESC[P+](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyNNELVYLPFSUPAE-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.14
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

ethene;3-methylbutylbenzene
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(2R)-4-phenylbutane-2-thiol
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(2S)-4-phenylbutan-2-amine
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CID 173414157
CID 173414157
benzene;2-phenylethylbenzene
CID 18982764
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
3,4-dimethylhexylbenzene
CID 72602417
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
ethane;methane;2-phenylethylbenzene
CID 158652330
4-methyl-7-phenylheptan-2-ol
CID 64718783
3-azidobutylbenzene
CID 11805255

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phenylethyl)phosphanium?
The IUPAC name of trimethyl(2-phenylethyl)phosphanium (CID 10777798) is trimethyl(2-phenylethyl)phosphanium.
What is the SMILES notation for trimethyl(2-phenylethyl)phosphanium?
The canonical SMILES for trimethyl(2-phenylethyl)phosphanium is C[P+](C)(C)CCc1ccccc1.
What is the InChIKey of trimethyl(2-phenylethyl)phosphanium?
The InChIKey is NNELVYLPFSUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1.
What are the key properties of trimethyl(2-phenylethyl)phosphanium?
trimethyl(2-phenylethyl)phosphanium has a molecular weight of 181.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenylethyl)phosphanium is sourced from PubChem (CID 10777798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).