Basic information
- CAS
159264-96-7- Standard SMILES
CC1Cc2cc(C(=O)CCc3ccccc3)ccc2O1- InChIKey
BIDJZAWEWJHSNW-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane
- IUPAC
- 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-one
- English name
- 2-methyl-5-(3-phenylpropionyl)-1-benzoxolane
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane159264-96-72-M-PP-BRefChem:881681-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-oneBRN 72524591-(2,3-Dihydro-2-methyl-5-benzofuranyl)-3-phenyl-1-propanoneOprea1_358608DTXSID509360821-Propanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-3-phenyl-AKOS003592527
Database identifiers
- CAS
159264-96-7- PubChem CID
- 197364
- DTXSID
DTXSID50936082- Nikkaji
- J662.674B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 436.5 · 436.5±44.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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