dimethyl(diphenyl)phosphanium perchlorate

C14H16ClO4P — CID 71333893

IUPACdimethyl(diphenyl)phosphanium perchlorate
SMILESC[P+](C)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H16P.ClHO4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNGQCAJUXASHYDE-UHFFFAOYSA-M
MW314.71 g/mol
LogP-1.84
Rot. Bonds2

About dimethyl(diphenyl)phosphanium perchlorate

dimethyl(diphenyl)phosphanium perchlorate (PubChem CID 71333893) has the molecular formula C14H16ClO4P and a molecular weight of 314.71 g/mol. Its IUPAC name is dimethyl(diphenyl)phosphanium perchlorate.

Molecular Properties

Compound Namedimethyl(diphenyl)phosphanium perchlorate
PubChem CID71333893
Molecular FormulaC14H16ClO4P
Molecular Weight314.71 g/mol
Exact Mass314.05
IUPAC Namedimethyl(diphenyl)phosphanium perchlorate
SMILESC[P+](C)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H16P.ClHO4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNGQCAJUXASHYDE-UHFFFAOYSA-M
XLogP-1.84
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(diphenyl)phosphanium perchlorate?
The IUPAC name of dimethyl(diphenyl)phosphanium perchlorate (CID 71333893) is dimethyl(diphenyl)phosphanium perchlorate.
What is the SMILES notation for dimethyl(diphenyl)phosphanium perchlorate?
The canonical SMILES for dimethyl(diphenyl)phosphanium perchlorate is C[P+](C)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dimethyl(diphenyl)phosphanium perchlorate?
The InChIKey is NGQCAJUXASHYDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16P.ClHO4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of dimethyl(diphenyl)phosphanium perchlorate?
dimethyl(diphenyl)phosphanium perchlorate has a molecular weight of 314.71 g/mol, XLogP of -1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(diphenyl)phosphanium perchlorate is sourced from PubChem (CID 71333893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).