Basic information
- Standard SMILES
COC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2cc(CO)ccc12- InChIKey
PIOSSABUMDHHBD-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Names & identifiers
- Preferred name
- Methyl 2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)1-methyl-1H-3-indolyl]acetate
- IUPAC
- methyl 2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)-1-methylindol-3-yl]acetate
Names & synonyms
SCHEMBL6583479PIOSSABUMDHHBD-UHFFFAOYSA-NMethyl 2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)-1-methyl-1H-3-indolyl]acetateMethyl 2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)1-methyl-1H-3-indolyl]acetate
Database identifiers
- PubChem CID
- 22467201
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Related reactions
5 records
Compound notes
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