3-Methyl-6-phenylcyclohex-2-en-1-one
Basic information
- CAS
6286-53-9- Standard SMILES
CC1=CC(=O)C(c2ccccc2)CC1- InChIKey
HQQSYHVJFAZTTQ-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 3-Methyl-6-phenylcyclohex-2-en-1-one
- IUPAC
- 3-methyl-6-phenylcyclohex-2-en-1-one
Names & synonyms
6286-53-93-methyl-6-phenylcyclohex-2-en-1-oneNSC10084HQQSYHVJFAZTTQ-UHFFFAOYSA-DTXSID30278790NSC-100844-Methyl-5,6-dihydro[1,1'-biphenyl]-2(1H)-oneInChI=1/C13H14O/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3
Database identifiers
- CAS
6286-53-9- PubChem CID
- 222969
- DTXSID
DTXSID30278790- Nikkaji
- J818.701K
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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