1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone

C13H14ClNO2 — CID 83947416

IUPAC1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12
InChIInChI=1S/C13H14ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,16H,3-4H2,1-2H3
InChIKeyQIDCRLWGOCNJEC-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.80
Rot. Bonds3

About 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone

1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone (PubChem CID 83947416) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
PubChem CID83947416
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12
InChIInChI=1S/C13H14ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,16H,3-4H2,1-2H3
InChIKeyQIDCRLWGOCNJEC-UHFFFAOYSA-N
XLogP2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
3-acetyl-1-(3-hydroxypropyl)-5-methylindole-6-carboxylic acid
CID 83947015
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
2-(6-chloro-5-methylindol-1-yl)ethanol
CID 83944384
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
CID 173096651
fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 144602812
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
CID 83944411
1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
CID 83947605

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone?
The IUPAC name of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone (CID 83947416) is 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone is CC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12.
What is the InChIKey of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone?
The InChIKey is QIDCRLWGOCNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,16H,3-4H2,1-2H3.
What are the key properties of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone?
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone has a molecular weight of 251.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone is sourced from PubChem (CID 83947416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).