7-methoxy-1,2,3-trimethylindole-5-carboxylic acid

C13H15NO3 — CID 84696644

IUPAC7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)n(C)c12
InChIInChI=1S/C13H15NO3/c1-7-8(2)14(3)12-10(7)5-9(13(15)16)6-11(12)17-4/h5-6H,1-4H3,(H,15,16)
InChIKeyIXUDCGHLWKUFFG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.50
Rot. Bonds2

About 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid

7-methoxy-1,2,3-trimethylindole-5-carboxylic acid (PubChem CID 84696644) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
PubChem CID84696644
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)n(C)c12
InChIInChI=1S/C13H15NO3/c1-7-8(2)14(3)12-10(7)5-9(13(15)16)6-11(12)17-4/h5-6H,1-4H3,(H,15,16)
InChIKeyIXUDCGHLWKUFFG-UHFFFAOYSA-N
XLogP2.50
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
CID 23468813
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 166171852
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
3,5-dimethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 101437500
4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 11088021

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid?
The IUPAC name of 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid (CID 84696644) is 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid?
The canonical SMILES for 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid is COc1cc(C(=O)O)cc2c(C)c(C)n(C)c12.
What is the InChIKey of 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid?
The InChIKey is IXUDCGHLWKUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-8(2)14(3)12-10(7)5-9(13(15)16)6-11(12)17-4/h5-6H,1-4H3,(H,15,16).
What are the key properties of 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid?
7-methoxy-1,2,3-trimethylindole-5-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3-trimethylindole-5-carboxylic acid is sourced from PubChem (CID 84696644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).