1-[2-(2-Oxiranylmethoxy)phenyl]-3-phenyl-1-propanone

C₁₈H₁₈O₃CAS 22525-95-7282.34 g/mol

Open in Covalent MOL file

Epoxide Ether Ketone

Properties

Molecular formula: C₁₈H₁₈O₃
Molar mass: 282.34 g/mol
Exact mass: 282.1256 Da
logP: 3.28Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed89.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

22525-95-7

SMILES

O=C(CCc1ccccc1)c1ccccc1OCC1CO1

InChIKey

AUZMQKJKLUZHBY-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O3/c19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15-12-20-15/h1-9,15H,10-13H2

Weigh it out

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

Names and synonyms

7 names

1-Propanone, 1-[2-(2-oxiranylmethoxy)phenyl]-3-phenyl-
Propiophenone, 2′-(2,3-epoxypropoxy)-3-phenyl-
1-Propanone, 1-[2-(oxiranylmethoxy)phenyl]-3-phenyl-
2-[[2-(3-Phenylpropanoyl)phenoxy]methyl]oxirane
2′-(2,3-Epoxypropoxy)-3-phenylpropiophenone
1-(2-(2,3-Epoxypropoxy)phenyl)-3-phenyl-1-propanone
2'-(Oxiranylmethoxy)-3-phenylpropiophenone

Work with 1-[2-(2-Oxiranylmethoxy)phenyl]-3-phenyl-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propafenone54063-53-557 % similar Propafenone hydrochloride34183-22-754 % similar Chromanone491-37-253 % similar 2'-Hydroxy-3-phenylpropiophenone3516-95-849 % similar Coumaranone7169-34-848 % similar 2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane7144-65-247 % similar Dihydrochalcone1083-30-345 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-444 % similar

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

Same formula

Flurenol-butyl2314-09-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook