1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol

C13H17NO2 — CID 117122286

IUPAC1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
SMILESCCn1cc(C(C)(C)O)c2ccc(O)cc21
InChIInChI=1S/C13H17NO2/c1-4-14-8-11(13(2,3)16)10-6-5-9(15)7-12(10)14/h5-8,15-16H,4H2,1-3H3
InChIKeyFUSRYMHFKVZWLJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.59
Rot. Bonds2

About 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol

1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol (PubChem CID 117122286) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
PubChem CID117122286
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
SMILESCCn1cc(C(C)(C)O)c2ccc(O)cc21
InChIInChI=1S/C13H17NO2/c1-4-14-8-11(13(2,3)16)10-6-5-9(15)7-12(10)14/h5-8,15-16H,4H2,1-3H3
InChIKeyFUSRYMHFKVZWLJ-UHFFFAOYSA-N
XLogP2.59
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-6-methoxyindol-3-yl)propan-2-ol
CID 117122288
2-(1-ethyl-6-methylindol-3-yl)propan-2-amine
CID 117122147
3-(2-fluoropropan-2-yl)-1-methylindol-6-ol
CID 84675129
tris(1-ethylindol-3-yl)methanol
CID 142757847
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
1-butyl-3-methylindol-6-ol
CID 174461708
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
CID 84685342
1,3-dimethylindol-6-ol
CID 83815731

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol?
The IUPAC name of 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol (CID 117122286) is 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol.
What is the SMILES notation for 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol?
The canonical SMILES for 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol is CCn1cc(C(C)(C)O)c2ccc(O)cc21.
What is the InChIKey of 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol?
The InChIKey is FUSRYMHFKVZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-14-8-11(13(2,3)16)10-6-5-9(15)7-12(10)14/h5-8,15-16H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol?
1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol has a molecular weight of 219.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol is sourced from PubChem (CID 117122286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).