oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium

C16H16O2P+ — CID 141016786

IUPACoxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
SMILESCc1ccc(C)c(C(=O)[P+](=O)c2ccccc2)c1C
InChIInChI=1S/C16H16O2P/c1-11-9-10-12(2)15(13(11)3)16(17)19(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1
InChIKeyRVAIHLJTLLGODT-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.90
Rot. Bonds3

About oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium

oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium (PubChem CID 141016786) has the molecular formula C16H16O2P+ and a molecular weight of 271.28 g/mol. Its IUPAC name is oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Nameoxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
PubChem CID141016786
Molecular FormulaC16H16O2P+
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Nameoxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
SMILESCc1ccc(C)c(C(=O)[P+](=O)c2ccccc2)c1C
InChIInChI=1S/C16H16O2P/c1-11-9-10-12(2)15(13(11)3)16(17)19(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1
InChIKeyRVAIHLJTLLGODT-UHFFFAOYSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
CID 67176585
[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
CID 174384218
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141016257
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
2,3,6-trimethylbenzoyl chloride
CID 20662008
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
ethyl 2,3,6-trimethylbenzoate
CID 13126297
(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70017070
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium?
The IUPAC name of oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium (CID 141016786) is oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium is Cc1ccc(C)c(C(=O)[P+](=O)c2ccccc2)c1C.
What is the InChIKey of oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium?
The InChIKey is RVAIHLJTLLGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2P/c1-11-9-10-12(2)15(13(11)3)16(17)19(18)14-7-5-4-6-8-14/h4-10H,1-3H3/q+1.
What are the key properties of oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium?
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium has a molecular weight of 271.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 141016786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).