2-(5-tert-butyl-1H-indol-3-yl)ethanol

C14H19NO — CID 82277489

IUPAC2-(5-tert-butyl-1H-indol-3-yl)ethanol
SMILESCC(C)(C)c1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-4-5-13-12(8-11)10(6-7-16)9-15-13/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyKZCHSZVSYYMTGZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.00
Rot. Bonds2

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

2-(5-tert-butyl-1H-indol-3-yl)ethanol (PubChem CID 82277489) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-indol-3-yl)ethanol
PubChem CID82277489
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(5-tert-butyl-1H-indol-3-yl)ethanol
SMILESCC(C)(C)c1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-4-5-13-12(8-11)10(6-7-16)9-15-13/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyKZCHSZVSYYMTGZ-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725
2-(5-tert-butyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82497815
3-propyl-1H-indol-5-ol
CID 15366338
methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate
CID 135263211
2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
CID 18977099
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)ethanol (CID 82277489) is 2-(5-tert-butyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-1H-indol-3-yl)ethanol is CC(C)(C)c1ccc2[nH]cc(CCO)c2c1.
What is the InChIKey of 2-(5-tert-butyl-1H-indol-3-yl)ethanol?
The InChIKey is KZCHSZVSYYMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)11-4-5-13-12(8-11)10(6-7-16)9-15-13/h4-5,8-9,15-16H,6-7H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1H-indol-3-yl)ethanol?
2-(5-tert-butyl-1H-indol-3-yl)ethanol has a molecular weight of 217.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 82277489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).