Basic information
- Standard SMILES
COC(=O)c1cc2cc(OCc3ccccc3)c(C)cc2[nH]1- InChIKey
PYPSZRCRUQZBJL-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxy-6-methyl-1H-indole-2-carboxylic acid methyl ester
- IUPAC
- methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL187450PYPSZRCRUQZBJL-UHFFFAOYSA-N5-Benzyloxy-6-methyl-1H-indole-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58437486
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
9 records
Compound notes
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