chempirical

1-Phenoxy-2-propanone

C9H10O2CAS 621-87-4150.18 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
1.0903 g/mL (at 20 °C)
Boiling point
229.5 °C
logP
1.65Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
621-87-4
SMILES
CC(=O)COc1ccccc1
InChIKey
QWAVNXZAQASOML-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 2-Propanone, 1-phenoxy-
  • 2-Propanone, phenoxy-
  • Phenoxyacetone
  • 1-Phenoxyacetone
  • Phenoxymethyl methyl ketone
  • Methyl phenoxymethyl ketone
  • Phenoxy-2-propanone
  • NSC 1876

Work with 1-Phenoxy-2-propanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenoxyacetic anhydride14316-61-157 % similar Methyl 2-phenoxyacetate2065-23-856 % similar Phenoxyacetic acid122-59-855 % similar 2-Phenoxyacetyl chloride701-99-555 % similar 2-Phenoxy-1-phenylethanone721-04-055 % similar Ethyl 2-phenoxyacetate2555-49-953 % similar Phenylacetone103-79-750 % similar Sodium phenoxyacetate3598-16-150 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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