Basic information
- Standard SMILES
CCOC(=O)C(Oc1cccc2[nH]c(C)cc12)C(C)C- InChIKey
VPFYEKIMGSATFX-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2-(2-methyl-1H-indol-4-yloxy)-butyric acid ethyl ester
- IUPAC
- ethyl 3-methyl-2-[(2-methyl-1H-indol-4-yl)oxy]butanoate
Names & synonyms
SCHEMBL3195524VPFYEKIMGSATFX-UHFFFAOYSA-N3-Methyl-2-(2-methyl-1H-indol-4-yloxy)-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 59170396
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
5 records
Compound notes
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