chempirical

1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane

C11H10O2CAS 63106-93-4174.20 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C11H10O2
Molar mass
174.20 g/mol
Exact mass
174.0681 Da
Melting point
49–50 °C
Boiling point
119 °C (at 0.1 Torr)
logP
1.50Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
63106-93-4
SMILES
O=C1OCC2CC12c1ccccc1
InChIKey
WZGFIZUMKYUMRN-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

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Names and synonyms

2 names
  • 3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-
  • 1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one

Work with 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane

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

Dihydro-3,3-diphenyl-2(3H)-furanone956-89-845 % similar Ethyl 2-phenylisobutyrate2901-13-541 % similar Ethyl benzilate52182-15-740 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-840 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-540 % similar Milnacipran92623-85-340 % similar Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-639 % similar Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-038 % similar

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

Same formula

2-Ethyl-4H-chromen-4-one14736-30-2 5-Phenyl-2,4-pentadienoic acid1552-94-9 Propylidenephthalide17369-59-4 1,2,6,7-Tetrahydro-8H-indeno[5,4-B]furan-8-one196597-78-1 Ethyl phenylpropiolate2216-94-6 4-Methoxy-1-naphthol84-85-5

Elsewhere

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