2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol

C13H16FNO2 — CID 66927082

IUPAC2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol
SMILESCCn1cc(CCO)c2c(OC)cc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-3-15-8-9(4-5-16)13-11(15)6-10(14)7-12(13)17-2/h6-8,16H,3-5H2,1-2H3
InChIKeyCVOPQZSOFHAPIO-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.34
Rot. Bonds4

About 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol

2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol (PubChem CID 66927082) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol
PubChem CID66927082
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol
SMILESCCn1cc(CCO)c2c(OC)cc(F)cc21
InChIInChI=1S/C13H16FNO2/c1-3-15-8-9(4-5-16)13-11(15)6-10(14)7-12(13)17-2/h6-8,16H,3-5H2,1-2H3
InChIKeyCVOPQZSOFHAPIO-UHFFFAOYSA-N
XLogP2.34
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol?
The IUPAC name of 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol (CID 66927082) is 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol is CCn1cc(CCO)c2c(OC)cc(F)cc21.
What is the InChIKey of 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol?
The InChIKey is CVOPQZSOFHAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-15-8-9(4-5-16)13-11(15)6-10(14)7-12(13)17-2/h6-8,16H,3-5H2,1-2H3.
What are the key properties of 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol?
2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol has a molecular weight of 237.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol is sourced from PubChem (CID 66927082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).