2-(5,6-diethoxyindol-1-yl)acetic acid

C14H17NO4 — CID 83944709

IUPAC2-(5,6-diethoxyindol-1-yl)acetic acid
SMILESCCOc1cc2ccn(CC(=O)O)c2cc1OCC
InChIInChI=1S/C14H17NO4/c1-3-18-12-7-10-5-6-15(9-14(16)17)11(10)8-13(12)19-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyDMZACHPLDNJREE-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.52
Rot. Bonds6

About 2-(5,6-diethoxyindol-1-yl)acetic acid

2-(5,6-diethoxyindol-1-yl)acetic acid (PubChem CID 83944709) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(5,6-diethoxyindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-diethoxyindol-1-yl)acetic acid
PubChem CID83944709
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(5,6-diethoxyindol-1-yl)acetic acid
SMILESCCOc1cc2ccn(CC(=O)O)c2cc1OCC
InChIInChI=1S/C14H17NO4/c1-3-18-12-7-10-5-6-15(9-14(16)17)11(10)8-13(12)19-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyDMZACHPLDNJREE-UHFFFAOYSA-N
XLogP2.52
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-diethoxyindol-1-yl)propan-1-ol
CID 83944745
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
3-(5,6-diethoxyindol-1-yl)propan-1-amine
CID 83948448
2-(6-chloro-5-methylindol-1-yl)acetic acid
CID 83944399
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-(5,6-diethoxy-3-formylindol-1-yl)acetic acid
CID 83947517
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
2-[5-(dimethylcarbamothioyloxy)indol-1-yl]acetic acid
CID 22504941

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diethoxyindol-1-yl)acetic acid?
The IUPAC name of 2-(5,6-diethoxyindol-1-yl)acetic acid (CID 83944709) is 2-(5,6-diethoxyindol-1-yl)acetic acid.
What is the SMILES notation for 2-(5,6-diethoxyindol-1-yl)acetic acid?
The canonical SMILES for 2-(5,6-diethoxyindol-1-yl)acetic acid is CCOc1cc2ccn(CC(=O)O)c2cc1OCC.
What is the InChIKey of 2-(5,6-diethoxyindol-1-yl)acetic acid?
The InChIKey is DMZACHPLDNJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-18-12-7-10-5-6-15(9-14(16)17)11(10)8-13(12)19-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(5,6-diethoxyindol-1-yl)acetic acid?
2-(5,6-diethoxyindol-1-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diethoxyindol-1-yl)acetic acid is sourced from PubChem (CID 83944709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).