chempirical

Dimethyl(3-phenoxy-2-oxopropyl)phosphonate

C11H15O5PCAS 40665-68-7258.21 g/mol

Open in Covalent MOL file
OPOOOO
EtherKetonePhosphonate

Properties

Molecular formula
C11H15O5P
Molar mass
258.21 g/mol
Exact mass
258.0657 Da
logP
2.12Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40665-68-7
SMILES
COP(=O)(CC(=O)COC1=CC=CC=C1)OC
InChIKey
NQTSTBMCCAVWOS-UHFFFAOYSA-N
InChI
InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-10(12)8-16-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3

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Names and synonyms

1 names
  • Dimethyl 2-oxo-3-phenoxypropylphosphonate

Work with Dimethyl(3-phenoxy-2-oxopropyl)phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate40665-94-971 % similar Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate54094-19-866 % similar Dimethyl (2-oxo-4-phenylbutyl)phosphonate41162-19-064 % similar Methyl 2-phenoxyacetate2065-23-849 % similar 1-Phenoxy-2-propanone621-87-447 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-747 % similar Dimethyl P-(2-oxoheptyl)phosphonate36969-89-845 % similar Phenoxyacetic anhydride14316-61-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl dimethyl phosphonoacetate57443-18-2

Elsewhere

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