1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid

C19H13NO3 — CID 52918852

IUPAC1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3cccc4ccccc34)cc2n1O
InChIInChI=1S/C19H13NO3/c21-19(22)18-11-14-9-8-13(10-17(14)20(18)23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23H,(H,21,22)
InChIKeyPSBMNKOWGAAPML-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.40
Rot. Bonds2

About 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid

1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid (PubChem CID 52918852) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid
PubChem CID52918852
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3cccc4ccccc34)cc2n1O
InChIInChI=1S/C19H13NO3/c21-19(22)18-11-14-9-8-13(10-17(14)20(18)23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23H,(H,21,22)
InChIKeyPSBMNKOWGAAPML-UHFFFAOYSA-N
XLogP4.40
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.40
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-6-naphthalen-1-ylindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid (CID 52918852) is 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid is O=C(O)c1cc2ccc(-c3cccc4ccccc34)cc2n1O.
What is the InChIKey of 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid?
The InChIKey is PSBMNKOWGAAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-19(22)18-11-14-9-8-13(10-17(14)20(18)23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23H,(H,21,22).
What are the key properties of 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid?
1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-naphthalen-1-ylindole-2-carboxylic acid is sourced from PubChem (CID 52918852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).