2,5-Cyclohexadienylbenzene
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Basic information
- CAS
4794-05-2- Standard SMILES
C1=CC(c2ccccc2)C=CC1- InChIKey
AOLZGHVIBHTDNC-UHFFFAOYSA-N- Molecular formula
- C12H12
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.09390038
Names & identifiers
- Preferred name
- 2,5-Cyclohexadienylbenzene
- IUPAC
- cyclohexa-2,5-dien-1-ylbenzene
- English name
- 3-Phenyl-1,4-cyclohexadiene
- Molecular weight
- 0
Names & synonyms
1,4-Dihydrobiphenyl3-Phenyl-1,4-cyclohexadiene2,5-CYCLOHEXADIENYLBENZENE4794-05-21,4-dihydro-1,1'-biphenylSCHEMBL3216263SCHEMBL3679529SCHEMBL3740188DTXSID80197361AOLZGHVIBHTDNC-UHFFFAOYSA-N2,5-Cyclohexadien-1-ylbenzene #Benzene, 2,5-cyclohexadien-1-yl-
Database identifiers
- CAS
4794-05-2- PubChem CID
- 20927
- DTXSID
DTXSID80197361- Nikkaji
- J100.206F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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