Basic information
- CAS
67222-02-0- Standard SMILES
COc1ccc(C2CC(=O)C=C(O)C2S(=O)c2ccccc2)cc1- InChIKey
XCXGUZTULOFEOO-UHFFFAOYSA-N- Molecular formula
- C19H18O4S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.09258022
Names & identifiers
- Preferred name
- 6-(Benzenesulfinyl)-5-hydroxy-4'-methoxy-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
- IUPAC
- 4-(benzenesulfinyl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Names & synonyms
67222-02-0DTXSID707916706-(Benzenesulfinyl)-5-hydroxy-4'-methoxy-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Database identifiers
- CAS
67222-02-0- PubChem CID
- 71368614
- DTXSID
DTXSID70791670
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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