1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone

C10H7Cl2NO2 — CID 18699537

IUPAC1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO2/c1-5(14)13-4-9(15)10-7(12)2-6(11)3-8(10)13/h2-4,15H,1H3
InChIKeyHWNYXNGBIJJROQ-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.31
Rot. Bonds

About 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone

1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone (PubChem CID 18699537) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone
PubChem CID18699537
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO2/c1-5(14)13-4-9(15)10-7(12)2-6(11)3-8(10)13/h2-4,15H,1H3
InChIKeyHWNYXNGBIJJROQ-UHFFFAOYSA-N
XLogP3.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917
methyl 2-(1-acetyl-6-chloroindol-3-yl)-2-aminoacetate
CID 101083900
1-(2,3,4-trichloropyrrol-1-yl)ethanone
CID 137440849
5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252234
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
[acetyloxy-(2,4,6-trichlorophenyl)-lambda3-iodanyl] acetate
CID 15355744
(E)-3-(2,4,6-trichloro-1-methylindol-3-yl)prop-2-enoic acid
CID 82269588
1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
CID 113212614
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
1-[4-(3,4,6-trichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 2402798
6,8-dichloronaphthalen-1-ol
CID 150488355
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone?
The IUPAC name of 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone (CID 18699537) is 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone?
The canonical SMILES for 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone is CC(=O)n1cc(O)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone?
The InChIKey is HWNYXNGBIJJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-5(14)13-4-9(15)10-7(12)2-6(11)3-8(10)13/h2-4,15H,1H3.
What are the key properties of 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone?
1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone has a molecular weight of 244.08 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-3-hydroxyindol-1-yl)ethanone is sourced from PubChem (CID 18699537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).