(E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
Basic information
- Standard SMILES
COc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1- InChIKey
ZGIOCWWESCNBFZ-LFYBBSHMSA-N- Molecular formula
- C17H16O2S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.08710092
Names & identifiers
- Preferred name
- (E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
Names & synonyms
CHEMBL241520SCHEMBL9337891ZGIOCWWESCNBFZ-LFYBBSHMSA-NDTXSID901371394(E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-oneAKOS000991788NCGC00342490-01trans-4'-Methoxy-4-(methylthio)chalconeAB01334418-02Z46053831(2E)-1-(4-Methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-2-propen-1-one #2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-(methylthio)phenyl]-, (2E)-
Database identifiers
- PubChem CID
- 5378221
- DTXSID
DTXSID901371394- ChEMBL
CHEMBL241520- Nikkaji
- J236.527H、J328.196E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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