2-(5-tert-butyl-3-methylindol-1-yl)ethanol

C15H21NO — CID 83945063

IUPAC2-(5-tert-butyl-3-methylindol-1-yl)ethanol
SMILESCc1cn(CCO)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H21NO/c1-11-10-16(7-8-17)14-6-5-12(9-13(11)14)15(2,3)4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyJEAPTYLSGRUVBV-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds2

About 2-(5-tert-butyl-3-methylindol-1-yl)ethanol

2-(5-tert-butyl-3-methylindol-1-yl)ethanol (PubChem CID 83945063) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-methylindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-3-methylindol-1-yl)ethanol
PubChem CID83945063
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(5-tert-butyl-3-methylindol-1-yl)ethanol
SMILESCc1cn(CCO)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H21NO/c1-11-10-16(7-8-17)14-6-5-12(9-13(11)14)15(2,3)4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyJEAPTYLSGRUVBV-UHFFFAOYSA-N
XLogP3.24
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3-methylindol-1-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-3-methylindol-1-yl)ethanol (CID 83945063) is 2-(5-tert-butyl-3-methylindol-1-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-3-methylindol-1-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-3-methylindol-1-yl)ethanol is Cc1cn(CCO)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-(5-tert-butyl-3-methylindol-1-yl)ethanol?
The InChIKey is JEAPTYLSGRUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-10-16(7-8-17)14-6-5-12(9-13(11)14)15(2,3)4/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-3-methylindol-1-yl)ethanol?
2-(5-tert-butyl-3-methylindol-1-yl)ethanol has a molecular weight of 231.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-3-methylindol-1-yl)ethanol is sourced from PubChem (CID 83945063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).