dimethyl-(2-oxoethyl)-phenylphosphanium

C10H14OP+ — CID 88763012

IUPACdimethyl-(2-oxoethyl)-phenylphosphanium
SMILESC[P+](C)(CC=O)c1ccccc1
InChIInChI=1S/C10H14OP/c1-12(2,9-8-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1
InChIKeyKIKSOKPVZQURDM-UHFFFAOYSA-N
MW181.20 g/mol
LogP1.79
Rot. Bonds3

About dimethyl-(2-oxoethyl)-phenylphosphanium

dimethyl-(2-oxoethyl)-phenylphosphanium (PubChem CID 88763012) has the molecular formula C10H14OP+ and a molecular weight of 181.20 g/mol. Its IUPAC name is dimethyl-(2-oxoethyl)-phenylphosphanium.

Molecular Properties

Compound Namedimethyl-(2-oxoethyl)-phenylphosphanium
PubChem CID88763012
Molecular FormulaC10H14OP+
Molecular Weight181.20 g/mol
Exact Mass181.08
IUPAC Namedimethyl-(2-oxoethyl)-phenylphosphanium
SMILESC[P+](C)(CC=O)c1ccccc1
InChIInChI=1S/C10H14OP/c1-12(2,9-8-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1
InChIKeyKIKSOKPVZQURDM-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-(2-oxoethyl)-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-phenylbutanal
CID 10877278
aniline;3-methylbutanal
CID 88664127
3,4-diphenylpentanal
CID 102432987
(2-bromo-2-oxoethyl)-dimethyl-phenylphosphanium bromide
CID 175403432
3-phenylselanylbutanal
CID 11831146
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
(3S)-3-(1-methylpyrrol-2-yl)butanal
CID 102512700
3-(2-phenylhydrazinyl)butanal
CID 88651914
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
(2S)-2-benzyl-3-methylbutanal
CID 12021275
(3R)-3-phenylpentanal
CID 12598589
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxoethyl)-phenylphosphanium?
The IUPAC name of dimethyl-(2-oxoethyl)-phenylphosphanium (CID 88763012) is dimethyl-(2-oxoethyl)-phenylphosphanium.
What is the SMILES notation for dimethyl-(2-oxoethyl)-phenylphosphanium?
The canonical SMILES for dimethyl-(2-oxoethyl)-phenylphosphanium is C[P+](C)(CC=O)c1ccccc1.
What is the InChIKey of dimethyl-(2-oxoethyl)-phenylphosphanium?
The InChIKey is KIKSOKPVZQURDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OP/c1-12(2,9-8-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/q+1.
What are the key properties of dimethyl-(2-oxoethyl)-phenylphosphanium?
dimethyl-(2-oxoethyl)-phenylphosphanium has a molecular weight of 181.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxoethyl)-phenylphosphanium is sourced from PubChem (CID 88763012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).