2-(4-ethoxy-1H-indol-3-yl)acetic acid

C12H13NO3 — CID 45094545

IUPAC2-(4-ethoxy-1H-indol-3-yl)acetic acid
SMILESCCOc1cccc2[nH]cc(CC(=O)O)c12
InChIInChI=1S/C12H13NO3/c1-2-16-10-5-3-4-9-12(10)8(7-13-9)6-11(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChIKeyFGDBZHCLFNFJAG-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-ethoxy-1H-indol-3-yl)acetic acid

2-(4-ethoxy-1H-indol-3-yl)acetic acid (PubChem CID 45094545) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-ethoxy-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-1H-indol-3-yl)acetic acid
PubChem CID45094545
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(4-ethoxy-1H-indol-3-yl)acetic acid
SMILESCCOc1cccc2[nH]cc(CC(=O)O)c12
InChIInChI=1S/C12H13NO3/c1-2-16-10-5-3-4-9-12(10)8(7-13-9)6-11(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChIKeyFGDBZHCLFNFJAG-UHFFFAOYSA-N
XLogP2.19
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-3-ethyl-1H-indole
CID 171816854
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
2-(4-benzoyloxy-1H-indol-3-yl)acetic acid
CID 14185779
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125143497
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
CID 125419727
N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 126454768
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
2-[4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 68898562

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)acetic acid (CID 45094545) is 2-(4-ethoxy-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxy-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxy-1H-indol-3-yl)acetic acid is CCOc1cccc2[nH]cc(CC(=O)O)c12.
What is the InChIKey of 2-(4-ethoxy-1H-indol-3-yl)acetic acid?
The InChIKey is FGDBZHCLFNFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-10-5-3-4-9-12(10)8(7-13-9)6-11(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxy-1H-indol-3-yl)acetic acid?
2-(4-ethoxy-1H-indol-3-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 45094545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).