2-(6-bromo-3-ethylindol-1-yl)ethanol

C12H14BrNO — CID 83946660

IUPAC2-(6-bromo-3-ethylindol-1-yl)ethanol
SMILESCCc1cn(CCO)c2cc(Br)ccc12
InChIInChI=1S/C12H14BrNO/c1-2-9-8-14(5-6-15)12-7-10(13)3-4-11(9)12/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyYRRUYCHMKMZDEK-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds3

About 2-(6-bromo-3-ethylindol-1-yl)ethanol

2-(6-bromo-3-ethylindol-1-yl)ethanol (PubChem CID 83946660) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(6-bromo-3-ethylindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-bromo-3-ethylindol-1-yl)ethanol
PubChem CID83946660
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(6-bromo-3-ethylindol-1-yl)ethanol
SMILESCCc1cn(CCO)c2cc(Br)ccc12
InChIInChI=1S/C12H14BrNO/c1-2-9-8-14(5-6-15)12-7-10(13)3-4-11(9)12/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyYRRUYCHMKMZDEK-UHFFFAOYSA-N
XLogP2.96
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-ethyl-1-methylindole
CID 115042453
2-[6-bromo-1-(3-hydroxypropyl)indol-3-yl]acetic acid
CID 83946695
6-bromo-3-ethyl-1-(propoxymethyl)indole
CID 70847043
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
CID 166911742
3-[5-bromo-3-(hydroxymethyl)indol-1-yl]propanoic acid
CID 83971027
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892
3-ethyl-6-fluoro-1-pentylindole
CID 143347565
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-ethylindol-1-yl)ethanol?
The IUPAC name of 2-(6-bromo-3-ethylindol-1-yl)ethanol (CID 83946660) is 2-(6-bromo-3-ethylindol-1-yl)ethanol.
What is the SMILES notation for 2-(6-bromo-3-ethylindol-1-yl)ethanol?
The canonical SMILES for 2-(6-bromo-3-ethylindol-1-yl)ethanol is CCc1cn(CCO)c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-3-ethylindol-1-yl)ethanol?
The InChIKey is YRRUYCHMKMZDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-9-8-14(5-6-15)12-7-10(13)3-4-11(9)12/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of 2-(6-bromo-3-ethylindol-1-yl)ethanol?
2-(6-bromo-3-ethylindol-1-yl)ethanol has a molecular weight of 268.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-ethylindol-1-yl)ethanol is sourced from PubChem (CID 83946660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).