1,2-dimethoxyindole-7-carboxylic acid

C11H11NO4 — CID 174419626

IUPAC1,2-dimethoxyindole-7-carboxylic acid
SMILESCOc1cc2cccc(C(=O)O)c2n1OC
InChIInChI=1S/C11H11NO4/c1-15-9-6-7-4-3-5-8(11(13)14)10(7)12(9)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyQUEKLIPOUXVFMN-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.41
Rot. Bonds3

About 1,2-dimethoxyindole-7-carboxylic acid

1,2-dimethoxyindole-7-carboxylic acid (PubChem CID 174419626) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1,2-dimethoxyindole-7-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethoxyindole-7-carboxylic acid
PubChem CID174419626
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1,2-dimethoxyindole-7-carboxylic acid
SMILESCOc1cc2cccc(C(=O)O)c2n1OC
InChIInChI=1S/C11H11NO4/c1-15-9-6-7-4-3-5-8(11(13)14)10(7)12(9)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyQUEKLIPOUXVFMN-UHFFFAOYSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10467078
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
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8-methoxyindolizine-1-carboxylic acid
CID 169203127
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
CID 117184391
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
naphthalene;phthalic acid
CID 158069637
1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
CID 102911584
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyindole-7-carboxylic acid?
The IUPAC name of 1,2-dimethoxyindole-7-carboxylic acid (CID 174419626) is 1,2-dimethoxyindole-7-carboxylic acid.
What is the SMILES notation for 1,2-dimethoxyindole-7-carboxylic acid?
The canonical SMILES for 1,2-dimethoxyindole-7-carboxylic acid is COc1cc2cccc(C(=O)O)c2n1OC.
What is the InChIKey of 1,2-dimethoxyindole-7-carboxylic acid?
The InChIKey is QUEKLIPOUXVFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-6-7-4-3-5-8(11(13)14)10(7)12(9)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1,2-dimethoxyindole-7-carboxylic acid?
1,2-dimethoxyindole-7-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyindole-7-carboxylic acid is sourced from PubChem (CID 174419626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).