trimethyl(2-phenylethenyl)phosphanium

C11H16P+ — CID 69015838

IUPACtrimethyl(2-phenylethenyl)phosphanium
SMILESC[P+](C)(C)C=Cc1ccccc1
InChIInChI=1S/C11H16P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1
InChIKeyHWEZBSGHVBINTO-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.56
Rot. Bonds2

About trimethyl(2-phenylethenyl)phosphanium

trimethyl(2-phenylethenyl)phosphanium (PubChem CID 69015838) has the molecular formula C11H16P+ and a molecular weight of 179.22 g/mol. Its IUPAC name is trimethyl(2-phenylethenyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(2-phenylethenyl)phosphanium
PubChem CID69015838
Molecular FormulaC11H16P+
Molecular Weight179.22 g/mol
Exact Mass179.10
IUPAC Nametrimethyl(2-phenylethenyl)phosphanium
SMILESC[P+](C)(C)C=Cc1ccccc1
InChIInChI=1S/C11H16P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1
InChIKeyHWEZBSGHVBINTO-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.56
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

(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
3-phenylprop-2-ene-1,1-diol
CID 54432533
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phenylethenyl)phosphanium?
The IUPAC name of trimethyl(2-phenylethenyl)phosphanium (CID 69015838) is trimethyl(2-phenylethenyl)phosphanium.
What is the SMILES notation for trimethyl(2-phenylethenyl)phosphanium?
The canonical SMILES for trimethyl(2-phenylethenyl)phosphanium is C[P+](C)(C)C=Cc1ccccc1.
What is the InChIKey of trimethyl(2-phenylethenyl)phosphanium?
The InChIKey is HWEZBSGHVBINTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16P/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1.
What are the key properties of trimethyl(2-phenylethenyl)phosphanium?
trimethyl(2-phenylethenyl)phosphanium has a molecular weight of 179.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenylethenyl)phosphanium is sourced from PubChem (CID 69015838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).