2-(2-hydroxyphenyl)indole-2-carboxylic acid

C15H11NO3 — CID 141242949

IUPAC2-(2-hydroxyphenyl)indole-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2O)C=c2ccccc2=N1
InChIInChI=1S/C15H11NO3/c17-13-8-4-2-6-11(13)15(14(18)19)9-10-5-1-3-7-12(10)16-15/h1-9,17H,(H,18,19)
InChIKeyFJMDBWVYYDSYIO-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.79
Rot. Bonds2

About 2-(2-hydroxyphenyl)indole-2-carboxylic acid

2-(2-hydroxyphenyl)indole-2-carboxylic acid (PubChem CID 141242949) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)indole-2-carboxylic acid
PubChem CID141242949
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(2-hydroxyphenyl)indole-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2O)C=c2ccccc2=N1
InChIInChI=1S/C15H11NO3/c17-13-8-4-2-6-11(13)15(14(18)19)9-10-5-1-3-7-12(10)16-15/h1-9,17H,(H,18,19)
InChIKeyFJMDBWVYYDSYIO-UHFFFAOYSA-N
XLogP0.79
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenyl)indole-2-carboxylic acid (CID 141242949) is 2-(2-hydroxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)indole-2-carboxylic acid is O=C(O)C1(c2ccccc2O)C=c2ccccc2=N1.
What is the InChIKey of 2-(2-hydroxyphenyl)indole-2-carboxylic acid?
The InChIKey is FJMDBWVYYDSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-13-8-4-2-6-11(13)15(14(18)19)9-10-5-1-3-7-12(10)16-15/h1-9,17H,(H,18,19).
What are the key properties of 2-(2-hydroxyphenyl)indole-2-carboxylic acid?
2-(2-hydroxyphenyl)indole-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 141242949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).