(2,6-dimethylbenzoyl)-oxo-phenylphosphanium

C15H14O2P+ — CID 67176585

IUPAC(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
SMILESCc1cccc(C)c1C(=O)[P+](=O)c1ccccc1
InChIInChI=1S/C15H14O2P/c1-11-7-6-8-12(2)14(11)15(16)18(17)13-9-4-3-5-10-13/h3-10H,1-2H3/q+1
InChIKeyGPJHERCZYPEOMF-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.60
Rot. Bonds3

About (2,6-dimethylbenzoyl)-oxo-phenylphosphanium

(2,6-dimethylbenzoyl)-oxo-phenylphosphanium (PubChem CID 67176585) has the molecular formula C15H14O2P+ and a molecular weight of 257.25 g/mol. Its IUPAC name is (2,6-dimethylbenzoyl)-oxo-phenylphosphanium.

Molecular Properties

Compound Name(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
PubChem CID67176585
Molecular FormulaC15H14O2P+
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
SMILESCc1cccc(C)c1C(=O)[P+](=O)c1ccccc1
InChIInChI=1S/C15H14O2P/c1-11-7-6-8-12(2)14(11)15(16)18(17)13-9-4-3-5-10-13/h3-10H,1-2H3/q+1
InChIKeyGPJHERCZYPEOMF-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylbenzoyl)-oxo-phenylphosphanium?
The IUPAC name of (2,6-dimethylbenzoyl)-oxo-phenylphosphanium (CID 67176585) is (2,6-dimethylbenzoyl)-oxo-phenylphosphanium.
What is the SMILES notation for (2,6-dimethylbenzoyl)-oxo-phenylphosphanium?
The canonical SMILES for (2,6-dimethylbenzoyl)-oxo-phenylphosphanium is Cc1cccc(C)c1C(=O)[P+](=O)c1ccccc1.
What is the InChIKey of (2,6-dimethylbenzoyl)-oxo-phenylphosphanium?
The InChIKey is GPJHERCZYPEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2P/c1-11-7-6-8-12(2)14(11)15(16)18(17)13-9-4-3-5-10-13/h3-10H,1-2H3/q+1.
What are the key properties of (2,6-dimethylbenzoyl)-oxo-phenylphosphanium?
(2,6-dimethylbenzoyl)-oxo-phenylphosphanium has a molecular weight of 257.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylbenzoyl)-oxo-phenylphosphanium is sourced from PubChem (CID 67176585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).