2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid

C12H15NO3 — CID 121202435

IUPAC2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
SMILESCCOc1cccc2c1CCN2CC(=O)O
InChIInChI=1S/C12H15NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-5H,2,6-8H2,1H3,(H,14,15)
InChIKeyPXIXTDMPEMGRNK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid

2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid (PubChem CID 121202435) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
PubChem CID121202435
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
SMILESCCOc1cccc2c1CCN2CC(=O)O
InChIInChI=1S/C12H15NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-5H,2,6-8H2,1H3,(H,14,15)
InChIKeyPXIXTDMPEMGRNK-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208
1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
CID 133059523
N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide
CID 129499778
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
4-[2-[3,5-dichloro-2-[(4-ethoxy-2,3-dihydroindol-1-yl)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid
CID 58215917
2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
CID 18351856
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoazepan-1-yl]acetic acid
CID 136548680
(4-ethoxy-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 175698332
4-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 165445305
1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003201
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid?
The IUPAC name of 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid (CID 121202435) is 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid is CCOc1cccc2c1CCN2CC(=O)O.
What is the InChIKey of 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid?
The InChIKey is PXIXTDMPEMGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-11-5-3-4-10-9(11)6-7-13(10)8-12(14)15/h3-5H,2,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid?
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid is sourced from PubChem (CID 121202435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).