1-(5-chloro-3-hydroxyindol-1-yl)ethanone

C10H8ClNO2 — CID 12825917

IUPAC1-(5-chloro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChIKeyVDHWOIHLYUKZNZ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.66
Rot. Bonds

About 1-(5-chloro-3-hydroxyindol-1-yl)ethanone

1-(5-chloro-3-hydroxyindol-1-yl)ethanone (PubChem CID 12825917) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(5-chloro-3-hydroxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-3-hydroxyindol-1-yl)ethanone
PubChem CID12825917
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(5-chloro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChIKeyVDHWOIHLYUKZNZ-UHFFFAOYSA-N
XLogP2.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-hydroxyindol-1-yl)ethanone?
The IUPAC name of 1-(5-chloro-3-hydroxyindol-1-yl)ethanone (CID 12825917) is 1-(5-chloro-3-hydroxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-3-hydroxyindol-1-yl)ethanone?
The canonical SMILES for 1-(5-chloro-3-hydroxyindol-1-yl)ethanone is CC(=O)n1cc(O)c2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-3-hydroxyindol-1-yl)ethanone?
The InChIKey is VDHWOIHLYUKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3.
What are the key properties of 1-(5-chloro-3-hydroxyindol-1-yl)ethanone?
1-(5-chloro-3-hydroxyindol-1-yl)ethanone has a molecular weight of 209.63 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-hydroxyindol-1-yl)ethanone is sourced from PubChem (CID 12825917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).