Basic information
- Standard SMILES
CCOC(=O)CC(c1ccccc1)c1c[nH]c2cc(OCCCO)ccc12- InChIKey
NQRKPQBJBACLOO-UHFFFAOYSA-N- Molecular formula
- C22H25NO4
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-phenyl-3-[6-(3-hydroxypropoxy)indol-3-yl]propionate
- IUPAC
- ethyl 3-[6-(3-hydroxypropoxy)-1H-indol-3-yl]-3-phenylpropanoate
Names & synonyms
SCHEMBL6162618NQRKPQBJBACLOO-UHFFFAOYSA-Nethyl 3-phenyl-3-[6-(3-hydroxypropoxy)indol-3-yl]propionate
Database identifiers
- PubChem CID
- 15549282
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 452
Related reactions
4 records
Compound notes
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