1-tert-butylindol-4-ol

C12H15NO — CID 135393981

IUPAC1-tert-butylindol-4-ol
SMILESCC(C)(C)n1ccc2c(O)cccc21
InChIInChI=1S/C12H15NO/c1-12(2,3)13-8-7-9-10(13)5-4-6-11(9)14/h4-8,14H,1-3H3
InChIKeyLBVNJSYIMNXMQI-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.10
Rot. Bonds

About 1-tert-butylindol-4-ol

1-tert-butylindol-4-ol (PubChem CID 135393981) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-tert-butylindol-4-ol.

Molecular Properties

Compound Name1-tert-butylindol-4-ol
PubChem CID135393981
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-tert-butylindol-4-ol
SMILESCC(C)(C)n1ccc2c(O)cccc21
InChIInChI=1S/C12H15NO/c1-12(2,3)13-8-7-9-10(13)5-4-6-11(9)14/h4-8,14H,1-3H3
InChIKeyLBVNJSYIMNXMQI-UHFFFAOYSA-N
XLogP3.10
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylindole-4-carboxylic acid
CID 68840218
1,4-ditert-butylpyrrolo[3,2-c]pyridine
CID 118391024
2-methyl-2-(4-methylindol-1-yl)butanoic acid
CID 114991143
2-(1,1-difluoroethyl)-1-methylindol-4-ol
CID 84678190
1-tert-butyl-4-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole
CID 175958539
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
2-tert-butyl-5-hydroxy-4-methylisoquinolin-1-one
CID 115038313
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
2-methyl-2-(4-propoxyindol-1-yl)propan-1-amine
CID 104523346
1-tert-butyl-4-hydroxy-2-oxopyridine-3-carbonitrile
CID 90395543
(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 158055671

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylindol-4-ol?
The IUPAC name of 1-tert-butylindol-4-ol (CID 135393981) is 1-tert-butylindol-4-ol.
What is the SMILES notation for 1-tert-butylindol-4-ol?
The canonical SMILES for 1-tert-butylindol-4-ol is CC(C)(C)n1ccc2c(O)cccc21.
What is the InChIKey of 1-tert-butylindol-4-ol?
The InChIKey is LBVNJSYIMNXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,3)13-8-7-9-10(13)5-4-6-11(9)14/h4-8,14H,1-3H3.
What are the key properties of 1-tert-butylindol-4-ol?
1-tert-butylindol-4-ol has a molecular weight of 189.26 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylindol-4-ol is sourced from PubChem (CID 135393981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).