2,5-Dimethylphenyl 2-ethylphenyl sulfone
Basic information
- CAS
4518-85-8- Standard SMILES
CCc1ccccc1S(=O)(=O)c1cc(C)ccc1C- InChIKey
TVFXZSQSESERPM-UHFFFAOYSA-N- Molecular formula
- C16H18O2S
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.10275099
Names & identifiers
- Preferred name
- 2,5-Dimethylphenyl 2-ethylphenyl sulfone
- IUPAC
- 2-(2-ethylphenyl)sulfonyl-1,4-dimethylbenzene
Names & synonyms
STK3701014518-85-82,5-dimethylphenyl 2-ethylphenyl sulfoneDTXSID60411491AKOS005445540ST509017712-[(2-ethylphenyl)sulfonyl]-1,4-dimethylbenzene2-(2-Ethylbenzene-1-sulfonyl)-1,4-dimethylbenzene
Database identifiers
- CAS
4518-85-8- PubChem CID
- 5226833
- DTXSID
DTXSID60411491
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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