3-[(2-Hydroxyphenyl)methylidene]-5-phenylthiophen-2-one
Basic information
- CAS
61477-87-0- Standard SMILES
O=C1SC(c2ccccc2)=CC1=Cc1ccccc1O- InChIKey
KJYGVOYYOOVLDI-UHFFFAOYSA-N- Molecular formula
- C17H12O2S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05580079
Names & identifiers
- Preferred name
- 3-[(2-Hydroxyphenyl)methylidene]-5-phenylthiophen-2-one
- IUPAC
- 3-[(2-hydroxyphenyl)methylidene]-5-phenylthiophen-2-one
Names & synonyms
3-[(2-hydroxyphenyl)methylidene]-5-phenylthiophen-2-one61477-87-0DTXSID403303133-[(2-Hydroxyphenyl)methylidene]-5-phenylthiophen-2(3H)-one
Database identifiers
- CAS
61477-87-0- PubChem CID
- 428803
- DTXSID
DTXSID40330313
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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