dimethyl(phenyl)phosphanium

C8H12P+ — CID 23415341

IUPACdimethyl(phenyl)phosphanium
SMILESC[PH+](C)c1ccccc1
InChIInChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1
InChIKeyHASCQPSFPAKVEK-UHFFFAOYSA-O
MW139.16 g/mol
LogP1.79
Rot. Bonds1

About dimethyl(phenyl)phosphanium

dimethyl(phenyl)phosphanium (PubChem CID 23415341) has the molecular formula C8H12P+ and a molecular weight of 139.16 g/mol. Its IUPAC name is dimethyl(phenyl)phosphanium.

Molecular Properties

Compound Namedimethyl(phenyl)phosphanium
PubChem CID23415341
Molecular FormulaC8H12P+
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Namedimethyl(phenyl)phosphanium
SMILESC[PH+](C)c1ccccc1
InChIInChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1
InChIKeyHASCQPSFPAKVEK-UHFFFAOYSA-O
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)phosphanium?
The IUPAC name of dimethyl(phenyl)phosphanium (CID 23415341) is dimethyl(phenyl)phosphanium.
What is the SMILES notation for dimethyl(phenyl)phosphanium?
The canonical SMILES for dimethyl(phenyl)phosphanium is C[PH+](C)c1ccccc1.
What is the InChIKey of dimethyl(phenyl)phosphanium?
The InChIKey is HASCQPSFPAKVEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1.
What are the key properties of dimethyl(phenyl)phosphanium?
dimethyl(phenyl)phosphanium has a molecular weight of 139.16 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)phosphanium is sourced from PubChem (CID 23415341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).