1-hydroxy-4-phenylindole-2-carboxylic acid

C15H11NO3 — CID 51354287

IUPAC1-hydroxy-4-phenylindole-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccccc3)cccc2n1O
InChIInChI=1S/C15H11NO3/c17-15(18)14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16(14)19/h1-9,19H,(H,17,18)
InChIKeyQRTMKFSCYUHMJH-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.24
Rot. Bonds2

About 1-hydroxy-4-phenylindole-2-carboxylic acid

1-hydroxy-4-phenylindole-2-carboxylic acid (PubChem CID 51354287) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-hydroxy-4-phenylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-phenylindole-2-carboxylic acid
PubChem CID51354287
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name1-hydroxy-4-phenylindole-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccccc3)cccc2n1O
InChIInChI=1S/C15H11NO3/c17-15(18)14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16(14)19/h1-9,19H,(H,17,18)
InChIKeyQRTMKFSCYUHMJH-UHFFFAOYSA-N
XLogP3.24
TPSA62.46 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 ≤ 53.24
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-4-phenylindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-phenylindole-2-carboxylic acid (CID 51354287) is 1-hydroxy-4-phenylindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-phenylindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-phenylindole-2-carboxylic acid is O=C(O)c1cc2c(-c3ccccc3)cccc2n1O.
What is the InChIKey of 1-hydroxy-4-phenylindole-2-carboxylic acid?
The InChIKey is QRTMKFSCYUHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16(14)19/h1-9,19H,(H,17,18).
What are the key properties of 1-hydroxy-4-phenylindole-2-carboxylic acid?
1-hydroxy-4-phenylindole-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-phenylindole-2-carboxylic acid is sourced from PubChem (CID 51354287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).