6-(4-Hydroxy-cyclohexyl)-1-methyl-1H-indole-3-carboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1cn(C)c2cc(C3CCC(O)CC3)ccc12- InChIKey
GXZWHFLTECXMRF-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
Names & identifiers
- Preferred name
- 6-(4-Hydroxy-cyclohexyl)-1-methyl-1H-indole-3-carboxylic acid methyl ester
- IUPAC
- methyl 6-(4-hydroxycyclohexyl)-1-methylindole-3-carboxylate
Names & synonyms
SCHEMBL1095771SCHEMBL1096569GXZWHFLTECXMRF-UHFFFAOYSA-N6-(4-Hydroxy-cyclohexyl)-1-methyl-1H-indole-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66906010
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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