2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
Basic information
- CAS
84113-59-7- Standard SMILES
COc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1- InChIKey
UZRRYQWSKNLAJW-UHFFFAOYSA-N- Molecular formula
- C16H18O3S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.09766561
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
- IUPAC
- 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
Names & synonyms
84113-59-72-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzeneCHEMBL2313658NSC403316CBDivE_015651SCHEMBL11200612DTXSID50323190Mesityl 4-methoxyphenyl sulfone #BDBM50425550NSC-403316Diphenylsulfone, 2,4,6-trimethyl-4'-methoxy-
Show more names
2-(4-Methoxy-Benzenesulfonyl)-1,3,5-Trimethyl-Benzene2-(4-Methoxybenzene-1-sulfonyl)-1,3,5-trimethylbenzene
Database identifiers
- CAS
84113-59-7- PubChem CID
- 345609
- DTXSID
DTXSID50323190- ChEMBL
CHEMBL2313658- Nikkaji
- J586.186A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
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Related reactions
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Compound notes
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