2,3-dimethoxyindole-1-carboxylic acid

C11H11NO4 — CID 150022896

IUPAC2,3-dimethoxyindole-1-carboxylic acid
SMILESCOc1c(OC)n(C(=O)O)c2ccccc12
InChIInChI=1S/C11H11NO4/c1-15-9-7-5-3-4-6-8(7)12(11(13)14)10(9)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyDFPWVNHKSYCEQD-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.18
Rot. Bonds2

About 2,3-dimethoxyindole-1-carboxylic acid

2,3-dimethoxyindole-1-carboxylic acid (PubChem CID 150022896) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2,3-dimethoxyindole-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethoxyindole-1-carboxylic acid
PubChem CID150022896
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2,3-dimethoxyindole-1-carboxylic acid
SMILESCOc1c(OC)n(C(=O)O)c2ccccc12
InChIInChI=1S/C11H11NO4/c1-15-9-7-5-3-4-6-8(7)12(11(13)14)10(9)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyDFPWVNHKSYCEQD-UHFFFAOYSA-N
XLogP2.18
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
3-formyl-2-tetradecoxyindole-1-carboxylic acid
CID 170943333
3-methoxyindazole-1-carboxylic acid
CID 123417005
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
3-bromo-2-cyanoindole-1-carboxylic acid
CID 90720047
1-carbazol-9-ylethanone;ethane
CID 142183368
1,2,3-trimethoxyquinolin-4-one
CID 174279293
2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid
CID 174530956
3-ethyl-2-methyl-1-oxo-2,3-dihydrocyclopenta[b]indole-4-carboxylic acid
CID 175416824
(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
carbazole-9-carbonyl fluoride
CID 45082000
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxyindole-1-carboxylic acid?
The IUPAC name of 2,3-dimethoxyindole-1-carboxylic acid (CID 150022896) is 2,3-dimethoxyindole-1-carboxylic acid.
What is the SMILES notation for 2,3-dimethoxyindole-1-carboxylic acid?
The canonical SMILES for 2,3-dimethoxyindole-1-carboxylic acid is COc1c(OC)n(C(=O)O)c2ccccc12.
What is the InChIKey of 2,3-dimethoxyindole-1-carboxylic acid?
The InChIKey is DFPWVNHKSYCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-7-5-3-4-6-8(7)12(11(13)14)10(9)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2,3-dimethoxyindole-1-carboxylic acid?
2,3-dimethoxyindole-1-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxyindole-1-carboxylic acid is sourced from PubChem (CID 150022896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).