2-(4-ethoxyindol-1-yl)acetic acid

C12H13NO3 — CID 83162473

IUPAC2-(4-ethoxyindol-1-yl)acetic acid
SMILESCCOc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyITWDIOQTVQFNIX-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-ethoxyindol-1-yl)acetic acid

2-(4-ethoxyindol-1-yl)acetic acid (PubChem CID 83162473) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-ethoxyindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyindol-1-yl)acetic acid
PubChem CID83162473
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(4-ethoxyindol-1-yl)acetic acid
SMILESCCOc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyITWDIOQTVQFNIX-UHFFFAOYSA-N
XLogP2.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
2-(5,6-diethoxyindol-1-yl)acetic acid
CID 83944709
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyindol-1-yl)acetic acid?
The IUPAC name of 2-(4-ethoxyindol-1-yl)acetic acid (CID 83162473) is 2-(4-ethoxyindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxyindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxyindol-1-yl)acetic acid is CCOc1cccc2c1ccn2CC(=O)O.
What is the InChIKey of 2-(4-ethoxyindol-1-yl)acetic acid?
The InChIKey is ITWDIOQTVQFNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxyindol-1-yl)acetic acid?
2-(4-ethoxyindol-1-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyindol-1-yl)acetic acid is sourced from PubChem (CID 83162473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).