Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
Basic information
- CAS
6809-95-6- Standard SMILES
O=C(Cc1ccccc1)C1Cc2ccccc21- InChIKey
MWRCQJJQFQLAJJ-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Names & identifiers
- Preferred name
- Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
- IUPAC
- 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
Names & synonyms
BRN 2454368Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone6809-95-6Benzyl bicyclo(4.2.0)octa-1,3,5-trien-7-yl ketoneKETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL BENZYLRefChem:350453DTXSID50987534AKOS0143129091-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-2-phenylethan-1-one
Database identifiers
- CAS
6809-95-6- PubChem CID
- 23248
- DTXSID
DTXSID50987534- Nikkaji
- J41.517K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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