5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid

C17H15NO3 — CID 916259

IUPAC5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2-c1ccccc1
InChIInChI=1S/C17H15NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20)
InChIKeyZIPZPELKAMHRTM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.65
Rot. Bonds3

About 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid

5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid (PubChem CID 916259) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid
PubChem CID916259
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2-c1ccccc1
InChIInChI=1S/C17H15NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20)
InChIKeyZIPZPELKAMHRTM-UHFFFAOYSA-N
XLogP3.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid?
The IUPAC name of 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid (CID 916259) is 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid?
The canonical SMILES for 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid is COc1ccc2c(c1)c(C(=O)O)c(C)n2-c1ccccc1.
What is the InChIKey of 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid?
The InChIKey is ZIPZPELKAMHRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid?
5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-phenylindole-3-carboxylic acid is sourced from PubChem (CID 916259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).