Basic information
- CAS
128294-47-3- Standard SMILES
COc1ccc(/C=C/c2ccc(O)cc2)cc1OC- InChIKey
DXETTWUJTDCUQW-ONEGZZNKSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- Phenyl, 4-((1E)-2-(3,4-dimethoxyphenyl)ethenyl)-
- IUPAC
- 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol
Names & synonyms
128294-47-3CHEMBL231936Phenyl, 4-((1E)-2-(3,4-dimethoxyphenyl)ethenyl)-SCHEMBL1815698SCHEMBL30940355
Database identifiers
- CAS
128294-47-3- PubChem CID
- 6442736
- ChEMBL
CHEMBL231936- Nikkaji
- J2.484.746B、J303.861K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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