2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol

C15H19NO — CID 10331409

IUPAC2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol
SMILESCC(C)=CCc1ccc2c(CCO)c[nH]c2c1
InChIInChI=1S/C15H19NO/c1-11(2)3-4-12-5-6-14-13(7-8-17)10-16-15(14)9-12/h3,5-6,9-10,16-17H,4,7-8H2,1-2H3
InChIKeyOMYAYZKRMLYPNC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.21
Rot. Bonds4

About 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol

2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol (PubChem CID 10331409) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol
PubChem CID10331409
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol
SMILESCC(C)=CCc1ccc2c(CCO)c[nH]c2c1
InChIInChI=1S/C15H19NO/c1-11(2)3-4-12-5-6-14-13(7-8-17)10-16-15(14)9-12/h3,5-6,9-10,16-17H,4,7-8H2,1-2H3
InChIKeyOMYAYZKRMLYPNC-UHFFFAOYSA-N
XLogP3.21
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol (CID 10331409) is 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol is CC(C)=CCc1ccc2c(CCO)c[nH]c2c1.
What is the InChIKey of 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol?
The InChIKey is OMYAYZKRMLYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(2)3-4-12-5-6-14-13(7-8-17)10-16-15(14)9-12/h3,5-6,9-10,16-17H,4,7-8H2,1-2H3.
What are the key properties of 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol?
2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol has a molecular weight of 229.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 10331409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).