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Ethyl 3-phenyl-3-(6-hydroxyindol-3-yl)propionate

HCID 15549281
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CC(c1ccccc1)c1c[nH]c2cc(O)ccc12
InChIKey
VAWLKDQFOMPCFO-UHFFFAOYSA-N
Molecular formula
C19H19NO3
Average molar mass
309.4 g/mol

Names & identifiers

Preferred name
Ethyl 3-phenyl-3-(6-hydroxyindol-3-yl)propionate
IUPAC
ethyl 3-(6-hydroxy-1H-indol-3-yl)-3-phenylpropanoate

Names & synonyms

SCHEMBL6165678VAWLKDQFOMPCFO-UHFFFAOYSA-NEthyl 3-phenyl-3-(6-hydroxyindol-3-yl)propionate

Database identifiers

PubChem CID
15549281

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
62.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
394

Related reactions

6 records
New reaction record
HRID 153942 reaction equation
HRID 153942As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 321774 reaction equation
HRID 321774As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 351926 reaction equation
HRID 351926As reactantuspto-grants-2004_06
HRID 351929 reaction equation
HRID 351929As reactantuspto-grants-2004_06
HRID 351930 reaction equation
HRID 351930As reactantuspto-grants-2004_06
HRID 944761 reaction equation
HRID 944761As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes