2-(2,5-Dimethoxy-phenyl)-cyclopent-1-enecarboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C1=C(c2cc(OC)ccc2OC)CCC1- InChIKey
IRTHSUFLFFSTOD-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
Names & identifiers
- Preferred name
- 2-(2,5-Dimethoxy-phenyl)-cyclopent-1-enecarboxylic acid ethyl ester
- IUPAC
- ethyl 2-(2,5-dimethoxyphenyl)cyclopentene-1-carboxylate
Names & synonyms
SCHEMBL319596IRTHSUFLFFSTOD-UHFFFAOYSA-N2-(2,5-dimethoxy-phenyl)-cyclopent-1-enecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 12125331
- Nikkaji
- J1.999.392B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Related reactions
2 records
Compound notes
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