Basic information
- CAS
67617-20-3- Standard SMILES
COc1cccc(CCCC(=O)C(C)(C)S(C)=O)c1- InChIKey
QNBDCTCSSPBHDM-UHFFFAOYSA-N- Molecular formula
- C15H22O3S
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.12896573
Names & identifiers
- Preferred name
- 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one
- IUPAC
- 6-(3-methoxyphenyl)-2-methyl-2-methylsulfinylhexan-3-one
Names & synonyms
67617-20-3NSC316464DTXSID703174902-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-oneNSC-316464
Database identifiers
- CAS
67617-20-3- PubChem CID
- 330170
- DTXSID
DTXSID70317490
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…