methyl-oxo-(2-phenylpropan-2-yl)phosphanium

C10H14OP+ — CID 89036832

IUPACmethyl-oxo-(2-phenylpropan-2-yl)phosphanium
SMILESC[P+](=O)C(C)(C)c1ccccc1
InChIInChI=1S/C10H14OP/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyQBVGLEGCBJTYLK-UHFFFAOYSA-N
MW181.19 g/mol
LogP3.38
Rot. Bonds2

About methyl-oxo-(2-phenylpropan-2-yl)phosphanium

methyl-oxo-(2-phenylpropan-2-yl)phosphanium (PubChem CID 89036832) has the molecular formula C10H14OP+ and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl-oxo-(2-phenylpropan-2-yl)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(2-phenylpropan-2-yl)phosphanium
PubChem CID89036832
Molecular FormulaC10H14OP+
Molecular Weight181.19 g/mol
Exact Mass181.08
IUPAC Namemethyl-oxo-(2-phenylpropan-2-yl)phosphanium
SMILESC[P+](=O)C(C)(C)c1ccccc1
InChIInChI=1S/C10H14OP/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyQBVGLEGCBJTYLK-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenylethyl-hydroxy-oxophosphanium
CID 174317927
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
CID 131079563
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
2-hydroperoxypropan-2-ylbenzene;hydrochloride
CID 174888264
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
trifluoromethylbenzene;dihydrochloride
CID 171928889
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(2-phenylpropan-2-yl)phosphanium?
The IUPAC name of methyl-oxo-(2-phenylpropan-2-yl)phosphanium (CID 89036832) is methyl-oxo-(2-phenylpropan-2-yl)phosphanium.
What is the SMILES notation for methyl-oxo-(2-phenylpropan-2-yl)phosphanium?
The canonical SMILES for methyl-oxo-(2-phenylpropan-2-yl)phosphanium is C[P+](=O)C(C)(C)c1ccccc1.
What is the InChIKey of methyl-oxo-(2-phenylpropan-2-yl)phosphanium?
The InChIKey is QBVGLEGCBJTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OP/c1-10(2,12(3)11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1.
What are the key properties of methyl-oxo-(2-phenylpropan-2-yl)phosphanium?
methyl-oxo-(2-phenylpropan-2-yl)phosphanium has a molecular weight of 181.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(2-phenylpropan-2-yl)phosphanium is sourced from PubChem (CID 89036832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).