Basic information
- Standard SMILES
COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1- InChIKey
PEJUBFZKPIPGRC-CSKARUKUSA-N- Molecular formula
- C21H16O4S
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 4-[3E-(2-Methoxy-5-thiophen-2-yl-phenyl)-acryloyl]-benzoic acid
- IUPAC
- 4-[(E)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid
Names & synonyms
CHEMBL223412SCHEMBL6040657PEJUBFZKPIPGRC-CSKARUKUSA-N4-[3E-(2-Methoxy-5-thiophen-2-yl-phenyl)-acryloyl]-benzoic acid
Database identifiers
- PubChem CID
- 10150282
- ChEMBL
CHEMBL223412
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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