Basic information
- Standard SMILES
COC(=O)c1ccc(OCc2ccccc2)c(-n2cccc2)c1- InChIKey
JCEQKCVRRRFCDI-UHFFFAOYSA-N- Molecular formula
- C19H17NO3
- Average molar mass
- 307.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-benzyloxy3-(pyrrol-1-yl)benzoate
- IUPAC
- methyl 4-phenylmethoxy-3-pyrrol-1-ylbenzoate
Names & synonyms
SCHEMBL7824617JCEQKCVRRRFCDI-UHFFFAOYSA-Nmethyl 4-benzyloxy3-(pyrrol-1-yl)benzoate
Database identifiers
- PubChem CID
- 18945286
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Related reactions
2 records
Compound notes
Loading…