Basic information
- Standard SMILES
COC(=O)c1cccc(Cn2c(C(C)(C)C)cc3cc(OC)ccc32)c1- InChIKey
OEFDOVZGJGDGAB-UHFFFAOYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(2-tert-butyl-5-methoxyindol-1-ylmethyl)benzoate
- IUPAC
- methyl 3-[(2-tert-butyl-5-methoxyindol-1-yl)methyl]benzoate
Names & synonyms
SCHEMBL6118324OEFDOVZGJGDGAB-UHFFFAOYSA-NMethyl 3-(2-tert-butyl-5-methoxyindol-1-ylmethyl)benzoate
Database identifiers
- PubChem CID
- 69671069
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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