1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone

C12H12BrNO2 — CID 83948117

IUPAC1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCO)c2ccc(Br)cc12
InChIInChI=1S/C12H12BrNO2/c1-8(16)11-7-14(4-5-15)12-3-2-9(13)6-10(11)12/h2-3,6-7,15H,4-5H2,1H3
InChIKeyTWRWJESBLWRRGR-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.60
Rot. Bonds3

About 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone

1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone (PubChem CID 83948117) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
PubChem CID83948117
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCO)c2ccc(Br)cc12
InChIInChI=1S/C12H12BrNO2/c1-8(16)11-7-14(4-5-15)12-3-2-9(13)6-10(11)12/h2-3,6-7,15H,4-5H2,1H3
InChIKeyTWRWJESBLWRRGR-UHFFFAOYSA-N
XLogP2.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
CID 83947416
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
CID 173096651
2-(6-bromo-3-ethylindol-1-yl)ethanol
CID 83946660
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone (CID 83948117) is 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone is CC(=O)c1cn(CCO)c2ccc(Br)cc12.
What is the InChIKey of 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone?
The InChIKey is TWRWJESBLWRRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8(16)11-7-14(4-5-15)12-3-2-9(13)6-10(11)12/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone?
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone has a molecular weight of 282.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone is sourced from PubChem (CID 83948117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).