chempirical

Cyclopropyl(4-methoxyphenyl)methanone

C11H12O2CAS 7152-03-6176.21 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
Melting point
41–42 °C
logP
2.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
7152-03-6
SMILES
COc1ccc(C(=O)C2CC2)cc1
InChIKey
YKZSVEVTRUSPOQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3

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Names and synonyms

8 names
  • Methanone, cyclopropyl(4-methoxyphenyl)-
  • Ketone, cyclopropyl p-methoxyphenyl
  • Cyclopropyl 4-methoxyphenyl ketone
  • p-Anisoylcyclopropane
  • p-Anisyl cyclopropyl ketone
  • Cyclopropyl p-methoxyphenyl ketone
  • 4-Methoxyphenyl cyclopropyl ketone
  • NSC 71980

Work with Cyclopropyl(4-methoxyphenyl)methanone

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

4,4′-Dimethoxybenzoin119-52-858 % similar 4,4′-Dimethoxybenzil1226-42-255 % similar Benzoylcyclopropane3481-02-555 % similar 4,4′-Dimethoxybenzophenone90-96-055 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-155 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-255 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-655 % similar Acetanisole100-06-152 % similar

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

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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