2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol

C13H16BrNO — CID 117197647

IUPAC2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
SMILESCC(C)n1cc(CCO)c2cccc(Br)c21
InChIInChI=1S/C13H16BrNO/c1-9(2)15-8-10(6-7-16)11-4-3-5-12(14)13(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyLFLUVALMTXAXTO-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.52
Rot. Bonds3

About 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol

2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol (PubChem CID 117197647) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
PubChem CID117197647
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
SMILESCC(C)n1cc(CCO)c2cccc(Br)c21
InChIInChI=1S/C13H16BrNO/c1-9(2)15-8-10(6-7-16)11-4-3-5-12(14)13(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyLFLUVALMTXAXTO-UHFFFAOYSA-N
XLogP3.52
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
2-(3-methyl-1-propan-2-ylindol-7-yl)ethanol
CID 117205237
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
2-(3-bromo-1-methylindol-7-yl)ethanol
CID 117388124
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol?
The IUPAC name of 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol (CID 117197647) is 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol.
What is the SMILES notation for 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol?
The canonical SMILES for 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol is CC(C)n1cc(CCO)c2cccc(Br)c21.
What is the InChIKey of 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol?
The InChIKey is LFLUVALMTXAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(2)15-8-10(6-7-16)11-4-3-5-12(14)13(11)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol?
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol has a molecular weight of 282.18 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol is sourced from PubChem (CID 117197647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).