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

C13H16ClNO2 — CID 83944381

IUPAC1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
SMILESCc1cc2c(C(C)O)cn(CCO)c2cc1Cl
InChIInChI=1S/C13H16ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,9,16-17H,3-4H2,1-2H3
InChIKeyITXWBKMGZZCVIK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds3

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

1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol (PubChem CID 83944381) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
PubChem CID83944381
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
SMILESCc1cc2c(C(C)O)cn(CCO)c2cc1Cl
InChIInChI=1S/C13H16ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,9,16-17H,3-4H2,1-2H3
InChIKeyITXWBKMGZZCVIK-UHFFFAOYSA-N
XLogP2.65
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol?
The IUPAC name of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol (CID 83944381) is 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol.
What is the SMILES notation for 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol?
The canonical SMILES for 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol is Cc1cc2c(C(C)O)cn(CCO)c2cc1Cl.
What is the InChIKey of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol?
The InChIKey is ITXWBKMGZZCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-5-10-11(9(2)17)7-15(3-4-16)13(10)6-12(8)14/h5-7,9,16-17H,3-4H2,1-2H3.
What are the key properties of 1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol?
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol has a molecular weight of 253.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 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]ethanol is sourced from PubChem (CID 83944381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).