oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium

C16H16O3P+ — CID 18432056

IUPACoxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
SMILESCc1cc(C)c(C(=O)O[P+](=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1
InChIKeyGBGKNYXKXFKACS-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.84
Rot. Bonds3

About oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium

oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium (PubChem CID 18432056) has the molecular formula C16H16O3P+ and a molecular weight of 287.27 g/mol. Its IUPAC name is oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium.

Molecular Properties

Compound Nameoxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
PubChem CID18432056
Molecular FormulaC16H16O3P+
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Nameoxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
SMILESCc1cc(C)c(C(=O)O[P+](=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1
InChIKeyGBGKNYXKXFKACS-UHFFFAOYSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
CID 91323174
phenoxyphosphanyl 2,4,6-trimethylbenzoate
CID 163592575
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(4-fluoro-3-methylphenyl) 2,4,6-trimethylbenzoate
CID 118592858
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
CID 67176585
(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium
CID 150780755
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The IUPAC name of oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium (CID 18432056) is oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium.
What is the SMILES notation for oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The canonical SMILES for oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium is Cc1cc(C)c(C(=O)O[P+](=O)c2ccccc2)c(C)c1.
What is the InChIKey of oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
The InChIKey is GBGKNYXKXFKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1.
What are the key properties of oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium?
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium has a molecular weight of 287.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium is sourced from PubChem (CID 18432056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).