[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid

C12H17O3P — CID 126564378

IUPAC[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid
SMILESCC(=O)Cc1ccccc1P(=O)(O)C(C)C
InChIInChI=1S/C12H17O3P/c1-9(2)16(14,15)12-7-5-4-6-11(12)8-10(3)13/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyODHXKQVRBAEUHS-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.12
Rot. Bonds4

About [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid

[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid (PubChem CID 126564378) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid.

Molecular Properties

Compound Name[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid
PubChem CID126564378
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid
SMILESCC(=O)Cc1ccccc1P(=O)(O)C(C)C
InChIInChI=1S/C12H17O3P/c1-9(2)16(14,15)12-7-5-4-6-11(12)8-10(3)13/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyODHXKQVRBAEUHS-UHFFFAOYSA-N
XLogP2.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid 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

3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
benzene;1-phenylpropan-2-one
CID 21430852
1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
CID 84793683
4-diphenylphosphorylpentan-2-one
CID 13202508
1-dichlorophosphoryl-2-(2-methylpropyl)benzene
CID 141383820
1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 118443934

Frequently Asked Questions

What is the IUPAC name of [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid?
The IUPAC name of [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid (CID 126564378) is [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid.
What is the SMILES notation for [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid?
The canonical SMILES for [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid is CC(=O)Cc1ccccc1P(=O)(O)C(C)C.
What is the InChIKey of [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid?
The InChIKey is ODHXKQVRBAEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-9(2)16(14,15)12-7-5-4-6-11(12)8-10(3)13/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid?
[2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid has a molecular weight of 240.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxopropyl)phenyl]-propan-2-ylphosphinic acid is sourced from PubChem (CID 126564378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).