4'-Methyl-1,2,3,4-tetrahydro-1,1'-biphenyl
Basic information
- CAS
112176-17-7- Standard SMILES
Cc1ccc(C2C=CCCC2)cc1- InChIKey
AGBAFFDLDNCVGO-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 4'-Methyl-1,2,3,4-tetrahydro-1,1'-biphenyl
- IUPAC
- 1-cyclohex-2-en-1-yl-4-methylbenzene
Names & synonyms
112176-17-7DTXSID805620154'-Methyl-1,2,3,4-tetrahydro-1,1'-biphenylRefChem:283452DTXCID205127913-(p-tolyl)cyclohexeneSCHEMBL20561359
Database identifiers
- CAS
112176-17-7- PubChem CID
- 14595296
- DTXSID
DTXSID80562015- Nikkaji
- J1.036.049H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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