5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid

C14H17NO5 — CID 66973768

IUPAC5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C14H17NO5/c1-18-5-4-15-8-10(14(16)17)9-6-12(19-2)13(20-3)7-11(9)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyJLAHRASEBIROIS-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.00
Rot. Bonds6

About 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid

5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid (PubChem CID 66973768) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
PubChem CID66973768
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C14H17NO5/c1-18-5-4-15-8-10(14(16)17)9-6-12(19-2)13(20-3)7-11(9)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyJLAHRASEBIROIS-UHFFFAOYSA-N
XLogP2.00
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
CID 83947485
1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
CID 25109967
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5,6-dimethoxy-1-(2-methoxyethyl)indol-3-yl]methanone
CID 66973708
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3566558
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
3-acetyl-1-(3-hydroxypropyl)-5-methylindole-6-carboxylic acid
CID 83947015
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 15675271
1-(2-methoxyethyl)-7-(trifluoromethyl)indole-3-carboxylic acid
CID 67256244

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid?
The IUPAC name of 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid (CID 66973768) is 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid?
The canonical SMILES for 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid is COCCn1cc(C(=O)O)c2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid?
The InChIKey is JLAHRASEBIROIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-5-4-15-8-10(14(16)17)9-6-12(19-2)13(20-3)7-11(9)15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid?
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid is sourced from PubChem (CID 66973768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).