4'-Methyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one
Basic information
- CAS
5011-06-3- Standard SMILES
Cc1ccc(C2=CC(=O)CCC2)cc1- InChIKey
RBOQSOBLPPMHSJ-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 4'-Methyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one
- IUPAC
- 3-(4-methylphenyl)cyclohex-2-en-1-one
Names & synonyms
6330-12-74'-Methyl-5,6-dihydro-[1,1'-biphenyl]-3(4H)-one5011-06-3NSC47131SCHEMBL5793895DTXSID20964519NSC-47131AKOS0145053774'-Methyl-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Database identifiers
- CAS
5011-06-3、6330-12-7- PubChem CID
- 240691
- DTXSID
DTXSID20964519- Nikkaji
- J845.224E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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