2-dimethylphosphoryl-1-phenylethanone

C10H13O2P — CID 555432

IUPAC2-dimethylphosphoryl-1-phenylethanone
SMILESCP(C)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-13(2,12)8-10(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyIBIPAIVXKRFXEU-UHFFFAOYSA-N
MW196.19 g/mol
LogP2.49
Rot. Bonds3

About 2-dimethylphosphoryl-1-phenylethanone

2-dimethylphosphoryl-1-phenylethanone (PubChem CID 555432) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-dimethylphosphoryl-1-phenylethanone.

Molecular Properties

Compound Name2-dimethylphosphoryl-1-phenylethanone
PubChem CID555432
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name2-dimethylphosphoryl-1-phenylethanone
SMILESCP(C)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-13(2,12)8-10(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyIBIPAIVXKRFXEU-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 52.49
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-[bis(hydroxymethyl)phosphoryl]-1-phenylethanone
CID 71357134
2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
CID 12671866
1-phenyl(111C)propan-1-one
CID 11159350
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
benzene;2-hydroxy-1-phenylethanone
CID 174663024
sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-1-phenylethanone?
The IUPAC name of 2-dimethylphosphoryl-1-phenylethanone (CID 555432) is 2-dimethylphosphoryl-1-phenylethanone.
What is the SMILES notation for 2-dimethylphosphoryl-1-phenylethanone?
The canonical SMILES for 2-dimethylphosphoryl-1-phenylethanone is CP(C)(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-dimethylphosphoryl-1-phenylethanone?
The InChIKey is IBIPAIVXKRFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-13(2,12)8-10(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-dimethylphosphoryl-1-phenylethanone?
2-dimethylphosphoryl-1-phenylethanone has a molecular weight of 196.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-1-phenylethanone is sourced from PubChem (CID 555432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).