2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone

C11H15O5P — CID 166442123

IUPAC2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H15O5P/c1-14-11(17(13,15-2)16-3)10(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyTXOCQODCUFWYIP-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.33
Rot. Bonds6

About 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone

2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone (PubChem CID 166442123) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
PubChem CID166442123
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H15O5P/c1-14-11(17(13,15-2)16-3)10(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyTXOCQODCUFWYIP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

(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
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
1-dimethoxyphosphoryl-1-methoxypropan-2-one
CID 87461484
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
1-dimethoxyphosphorylpropyl benzoate
CID 134920574
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
methyl 2-bromo-3-oxo-3-phenylpropanoate
CID 71438799
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone?
The IUPAC name of 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone (CID 166442123) is 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone is COC(C(=O)c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone?
The InChIKey is TXOCQODCUFWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-14-11(17(13,15-2)16-3)10(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone?
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone has a molecular weight of 258.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone is sourced from PubChem (CID 166442123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).