Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccsc2)ccc1OC- InChIKey
VJEQATNZZWPOFB-UHFFFAOYSA-N- Molecular formula
- C13H12O3S
- Average molar mass
- 248.3 g/mol
Names & identifiers
- Preferred name
- Methyl 2-Methoxy-5-(thiophene-3-yl)benzoate
- IUPAC
- methyl 2-methoxy-5-thiophen-3-ylbenzoate
Names & synonyms
SCHEMBL4685840VJEQATNZZWPOFB-UHFFFAOYSA-NMethyl 2-Methoxy-5-(thiophene-3-yl)benzoate
Database identifiers
- PubChem CID
- 17834345
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
2 records
Compound notes
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