1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol

C12H17NO2 — CID 117199118

IUPAC1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
SMILESCCN1c2cccc(O)c2CC1CCO
InChIInChI=1S/C12H17NO2/c1-2-13-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9,14-15H,2,6-8H2,1H3
InChIKeyAVMCWFXIVLKEQB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds3

About 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol

1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol (PubChem CID 117199118) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
PubChem CID117199118
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
SMILESCCN1c2cccc(O)c2CC1CCO
InChIInChI=1S/C12H17NO2/c1-2-13-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9,14-15H,2,6-8H2,1H3
InChIKeyAVMCWFXIVLKEQB-UHFFFAOYSA-N
XLogP1.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
2-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)ethanol
CID 117202836
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 117199159
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol?
The IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol (CID 117199118) is 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol.
What is the SMILES notation for 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol?
The canonical SMILES for 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol is CCN1c2cccc(O)c2CC1CCO.
What is the InChIKey of 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol?
The InChIKey is AVMCWFXIVLKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13-9(6-7-14)8-10-11(13)4-3-5-12(10)15/h3-5,9,14-15H,2,6-8H2,1H3.
What are the key properties of 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol?
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol is sourced from PubChem (CID 117199118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).