1-hydroxy-5,6-diphenylindole-2-carboxylic acid

C21H15NO3 — CID 52920444

IUPAC1-hydroxy-5,6-diphenylindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccccc3)c(-c3ccccc3)cc2n1O
InChIInChI=1S/C21H15NO3/c23-21(24)20-12-16-11-17(14-7-3-1-4-8-14)18(13-19(16)22(20)25)15-9-5-2-6-10-15/h1-13,25H,(H,23,24)
InChIKeyRABDZGXLKUNVIO-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.91
Rot. Bonds3

About 1-hydroxy-5,6-diphenylindole-2-carboxylic acid

1-hydroxy-5,6-diphenylindole-2-carboxylic acid (PubChem CID 52920444) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-hydroxy-5,6-diphenylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-5,6-diphenylindole-2-carboxylic acid
PubChem CID52920444
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name1-hydroxy-5,6-diphenylindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccccc3)c(-c3ccccc3)cc2n1O
InChIInChI=1S/C21H15NO3/c23-21(24)20-12-16-11-17(14-7-3-1-4-8-14)18(13-19(16)22(20)25)15-9-5-2-6-10-15/h1-13,25H,(H,23,24)
InChIKeyRABDZGXLKUNVIO-UHFFFAOYSA-N
XLogP4.91
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5,6-diphenylindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-5,6-diphenylindole-2-carboxylic acid (CID 52920444) is 1-hydroxy-5,6-diphenylindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-5,6-diphenylindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-5,6-diphenylindole-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccccc3)c(-c3ccccc3)cc2n1O.
What is the InChIKey of 1-hydroxy-5,6-diphenylindole-2-carboxylic acid?
The InChIKey is RABDZGXLKUNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-21(24)20-12-16-11-17(14-7-3-1-4-8-14)18(13-19(16)22(20)25)15-9-5-2-6-10-15/h1-13,25H,(H,23,24).
What are the key properties of 1-hydroxy-5,6-diphenylindole-2-carboxylic acid?
1-hydroxy-5,6-diphenylindole-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5,6-diphenylindole-2-carboxylic acid is sourced from PubChem (CID 52920444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).