4,7-dimethoxy-1H-indole-2-carboxylic acid

C11H11NO4 — CID 510118

IUPAC4,7-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc(OC)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO4/c1-15-8-3-4-9(16-2)10-6(8)5-7(12-10)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyFJWNGDWJFIQNEG-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.88
Rot. Bonds3

About 4,7-dimethoxy-1H-indole-2-carboxylic acid

4,7-dimethoxy-1H-indole-2-carboxylic acid (PubChem CID 510118) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4,7-dimethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4,7-dimethoxy-1H-indole-2-carboxylic acid
PubChem CID510118
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4,7-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc(OC)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO4/c1-15-8-3-4-9(16-2)10-6(8)5-7(12-10)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyFJWNGDWJFIQNEG-UHFFFAOYSA-N
XLogP1.88
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxyindole-2-carboxylic acid
CID 20401
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
5,6,7-Trimethoxy-1H-indole-2-carboxylic acid
CID 821052
1-Methylethyl 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-indole-2-carboxylate
CID 193949
6-methoxy-1H-indole-2-carboxylic acid
CID 410327
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
5-phenoxy-1H-indole-2-carboxylic acid
CID 4270371
Ethyl 5-methoxy-3-methyl-1H-indole-2-carboxylate
CID 604590
6-methoxy-3-methyl-1H-indole-2-carboxylic acid
CID 53418085
5,6-Dimethoyxindole-2-carboxylic acid
CID 139035
4-Methoxy-1H-indole-2-carboxylic acid
CID 907248

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4,7-dimethoxy-1H-indole-2-carboxylic acid (CID 510118) is 4,7-dimethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4,7-dimethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4,7-dimethoxy-1H-indole-2-carboxylic acid is COc1ccc(OC)c2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4,7-dimethoxy-1H-indole-2-carboxylic acid?
The InChIKey is FJWNGDWJFIQNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-8-3-4-9(16-2)10-6(8)5-7(12-10)11(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 4,7-dimethoxy-1H-indole-2-carboxylic acid?
4,7-dimethoxy-1H-indole-2-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 510118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).