methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium

C12H16O2P+ — CID 54351714

IUPACmethyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](C)=O)c(C)c1C
InChIInChI=1S/C12H16O2P/c1-7-6-8(2)11(10(4)9(7)3)12(13)15(5)14/h6H,1-5H3/q+1
InChIKeyLDGAIVDAZJVLOR-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.52
Rot. Bonds2

About methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium

methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium (PubChem CID 54351714) has the molecular formula C12H16O2P+ and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium
PubChem CID54351714
Molecular FormulaC12H16O2P+
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Namemethyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](C)=O)c(C)c1C
InChIInChI=1S/C12H16O2P/c1-7-6-8(2)11(10(4)9(7)3)12(13)15(5)14/h6H,1-5H3/q+1
InChIKeyLDGAIVDAZJVLOR-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.52
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

oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 141294399
(2,3,4,5-tetramethylphenyl) 2,3,4,6-tetramethylbenzoate
CID 59629933
3-oxo-2-(2,3,4,6-tetramethylphenyl)prop-2-enoyl chloride
CID 21335128
ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
CID 142349539
2,3,4,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 123912379
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
CID 141016646
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173243893
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
CID 173244659

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium?
The IUPAC name of methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium (CID 54351714) is methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium.
What is the SMILES notation for methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium?
The canonical SMILES for methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](C)=O)c(C)c1C.
What is the InChIKey of methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium?
The InChIKey is LDGAIVDAZJVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2P/c1-7-6-8(2)11(10(4)9(7)3)12(13)15(5)14/h6H,1-5H3/q+1.
What are the key properties of methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium?
methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium has a molecular weight of 223.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium is sourced from PubChem (CID 54351714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).