ethoxy-oxo-phenacylphosphanium

C10H12O3P+ — CID 174673134

IUPACethoxy-oxo-phenacylphosphanium
SMILESCCO[P+](=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O3P/c1-2-13-14(12)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1
InChIKeyADZHZRJQYHOMKJ-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.65
Rot. Bonds5

About ethoxy-oxo-phenacylphosphanium

ethoxy-oxo-phenacylphosphanium (PubChem CID 174673134) has the molecular formula C10H12O3P+ and a molecular weight of 211.18 g/mol. Its IUPAC name is ethoxy-oxo-phenacylphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-phenacylphosphanium
PubChem CID174673134
Molecular FormulaC10H12O3P+
Molecular Weight211.18 g/mol
Exact Mass211.05
IUPAC Nameethoxy-oxo-phenacylphosphanium
SMILESCCO[P+](=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O3P/c1-2-13-14(12)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1
InChIKeyADZHZRJQYHOMKJ-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.65
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

1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-phenylbutan-1-one
CID 10315
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
CID 6332799
CID 6332799
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
1-phenylbutan-1-one;hydrobromide
CID 139638507
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-phenacylphosphanium?
The IUPAC name of ethoxy-oxo-phenacylphosphanium (CID 174673134) is ethoxy-oxo-phenacylphosphanium.
What is the SMILES notation for ethoxy-oxo-phenacylphosphanium?
The canonical SMILES for ethoxy-oxo-phenacylphosphanium is CCO[P+](=O)CC(=O)c1ccccc1.
What is the InChIKey of ethoxy-oxo-phenacylphosphanium?
The InChIKey is ADZHZRJQYHOMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3P/c1-2-13-14(12)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1.
What are the key properties of ethoxy-oxo-phenacylphosphanium?
ethoxy-oxo-phenacylphosphanium has a molecular weight of 211.18 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-phenacylphosphanium is sourced from PubChem (CID 174673134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).