4-diphenylphosphoryl-3-methylbutan-2-one

C17H19O2P — CID 13202522

IUPAC4-diphenylphosphoryl-3-methylbutan-2-one
SMILESCC(=O)C(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-14(15(2)18)13-20(19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3
InChIKeyDMLKMCHEUVUBAJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.23
Rot. Bonds5

About 4-diphenylphosphoryl-3-methylbutan-2-one

4-diphenylphosphoryl-3-methylbutan-2-one (PubChem CID 13202522) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-diphenylphosphoryl-3-methylbutan-2-one.

Molecular Properties

Compound Name4-diphenylphosphoryl-3-methylbutan-2-one
PubChem CID13202522
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-diphenylphosphoryl-3-methylbutan-2-one
SMILESCC(=O)C(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-14(15(2)18)13-20(19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3
InChIKeyDMLKMCHEUVUBAJ-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.23
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

(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
4-diphenylphosphorylpentan-2-one
CID 13202508
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(E)-5-diphenylphosphoryl-3-methylpent-3-en-2-ol
CID 14928752
[(4S,5R)-5-(diphenylphosphorylmethyl)octan-4-yl] acetate
CID 10667873
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
N-(2-diphenylphosphoryl-1-naphthalen-1-ylethyl)acetamide
CID 175087206
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
3-methyl-5-phenylhexan-2-one
CID 22898138
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
(5S)-5-methyl-3,6-dioxo-2-(triphenyl-λ5-phosphanylidene)heptanenitrile
CID 135193895

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-3-methylbutan-2-one?
The IUPAC name of 4-diphenylphosphoryl-3-methylbutan-2-one (CID 13202522) is 4-diphenylphosphoryl-3-methylbutan-2-one.
What is the SMILES notation for 4-diphenylphosphoryl-3-methylbutan-2-one?
The canonical SMILES for 4-diphenylphosphoryl-3-methylbutan-2-one is CC(=O)C(C)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryl-3-methylbutan-2-one?
The InChIKey is DMLKMCHEUVUBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-14(15(2)18)13-20(19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 4-diphenylphosphoryl-3-methylbutan-2-one?
4-diphenylphosphoryl-3-methylbutan-2-one has a molecular weight of 286.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-3-methylbutan-2-one is sourced from PubChem (CID 13202522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).