2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid

C12H15NO3 — CID 117201541

IUPAC2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2ccc(O)cc2CC1CC(=O)O
InChIInChI=1S/C12H15NO3/c1-2-13-9(7-12(15)16)5-8-6-10(14)3-4-11(8)13/h3-4,6,9,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyRTXYBZRMNMPWMA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds3

About 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid

2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 117201541) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
PubChem CID117201541
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2ccc(O)cc2CC1CC(=O)O
InChIInChI=1S/C12H15NO3/c1-2-13-9(7-12(15)16)5-8-6-10(14)3-4-11(8)13/h3-4,6,9,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyRTXYBZRMNMPWMA-UHFFFAOYSA-N
XLogP1.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol
CID 117201498
(2R)-1-ethyl-2-methyl-3,4-dihydro-2H-quinolin-6-ol
CID 99907724
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717
1,2-diethyl-2,3-dihydroindole-5-carboxamide
CID 151975903
2-(7-chloro-4-ethyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetic acid
CID 121199748
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
1-ethyl-5-methyl-2,3-dihydroindole-2-carboxylic acid
CID 117200842
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
CID 117201169

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid (CID 117201541) is 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid is CCN1c2ccc(O)cc2CC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is RTXYBZRMNMPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-13-9(7-12(15)16)5-8-6-10(14)3-4-11(8)13/h3-4,6,9,14H,2,5,7H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid?
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 117201541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).