2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol

C16H21NO2 — CID 115351890

IUPAC2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C16H21NO2/c1-3-15(2)11-16(18,8-10-19-15)13-5-4-6-14-12(13)7-9-17-14/h4-7,9,17-18H,3,8,10-11H2,1-2H3
InChIKeyGTJVKRBOCOUWQG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds2

About 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol

2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol (PubChem CID 115351890) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
PubChem CID115351890
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C16H21NO2/c1-3-15(2)11-16(18,8-10-19-15)13-5-4-6-14-12(13)7-9-17-14/h4-7,9,17-18H,3,8,10-11H2,1-2H3
InChIKeyGTJVKRBOCOUWQG-UHFFFAOYSA-N
XLogP3.33
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
2-ethyl-2-methyl-4-(3-methylthiophen-2-yl)oxan-4-ol
CID 79991077
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)thiophene-3-carboxylic acid
CID 107432277
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 112653071

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol?
The IUPAC name of 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol (CID 115351890) is 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol.
What is the SMILES notation for 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol?
The canonical SMILES for 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol is CCC1(C)CC(O)(c2cccc3[nH]ccc23)CCO1.
What is the InChIKey of 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol?
The InChIKey is GTJVKRBOCOUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-15(2)11-16(18,8-10-19-15)13-5-4-6-14-12(13)7-9-17-14/h4-7,9,17-18H,3,8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol?
2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol has a molecular weight of 259.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol is sourced from PubChem (CID 115351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).