dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate

C11H15O5P — CID 132992304

IUPACdimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
SMILESCOP(=O)(OC)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C11H15O5P/c1-9(16-17(13,14-2)15-3)11(12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyXMOLPVGHPWTKLR-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.68
Rot. Bonds6

About dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate

dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate (PubChem CID 132992304) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate.

Molecular Properties

Compound Namedimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
PubChem CID132992304
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Namedimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
SMILESCOP(=O)(OC)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C11H15O5P/c1-9(16-17(13,14-2)15-3)11(12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyXMOLPVGHPWTKLR-UHFFFAOYSA-N
XLogP2.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 59169038
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
CID 46198272
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
methoxycarbonyl 2-methyl-3-oxo-3-phenylpropanoate
CID 174535402
1-phenyl-2-propoxypropan-1-one
CID 43801137

Frequently Asked Questions

What is the IUPAC name of dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The IUPAC name of dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate (CID 132992304) is dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate.
What is the SMILES notation for dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The canonical SMILES for dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate is COP(=O)(OC)OC(C)C(=O)c1ccccc1.
What is the InChIKey of dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The InChIKey is XMOLPVGHPWTKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-9(16-17(13,14-2)15-3)11(12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate?
dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate has a molecular weight of 258.21 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate is sourced from PubChem (CID 132992304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).