2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid

C13H14ClNO3 — CID 82268674

IUPAC2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
SMILESCOCCn1c(Cl)c(C(=O)O)c2cccc(C)c21
InChIInChI=1S/C13H14ClNO3/c1-8-4-3-5-9-10(13(16)17)12(14)15(11(8)9)6-7-18-2/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyCBAWFMGMDJYSNN-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid

2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid (PubChem CID 82268674) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
PubChem CID82268674
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
SMILESCOCCn1c(Cl)c(C(=O)O)c2cccc(C)c21
InChIInChI=1S/C13H14ClNO3/c1-8-4-3-5-9-10(13(16)17)12(14)15(11(8)9)6-7-18-2/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyCBAWFMGMDJYSNN-UHFFFAOYSA-N
XLogP2.95
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
5-fluoro-2-iodo-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 66973697
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 40888534
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
5-chloro-3-(methoxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 62319735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid?
The IUPAC name of 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid (CID 82268674) is 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid.
What is the SMILES notation for 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid?
The canonical SMILES for 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid is COCCn1c(Cl)c(C(=O)O)c2cccc(C)c21.
What is the InChIKey of 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid?
The InChIKey is CBAWFMGMDJYSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8-4-3-5-9-10(13(16)17)12(14)15(11(8)9)6-7-18-2/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid?
2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid is sourced from PubChem (CID 82268674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).