5-Hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid

HCID 652127

Notes Reactions

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Basic information

Standard SMILES: Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1
InChIKey: DFIVRYDUQGHCLZ-UHFFFAOYSA-N
Molecular formula: C16H13NO3
Average molar mass: 267.28 g/mol

Names & identifiers

Preferred name: 5-Hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid
IUPAC: 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid

Names & synonyms

5-Hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acidSMR000001229Oprea1_433132Oprea1_644983MLS000030959SCHEMBL3388184CHEMBL1440792HMS2382I18AKOS005459959NCGC00029664-02BAS 00226262AB00410643-09

Show more names

SR-01000361384SR-01000361384-1

Database identifiers

PubChem CID: 652127
ChEMBL: CHEMBL1440792

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 62.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Related reactions

1 records

New reaction record

HRID 110196As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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