3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one

C16H21NO2 — CID 143093423

IUPAC3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
SMILESCCCCc1c[nH]c2ccc(OC(C)C(C)=O)cc12
InChIInChI=1S/C16H21NO2/c1-4-5-6-13-10-17-16-8-7-14(9-15(13)16)19-12(3)11(2)18/h7-10,12,17H,4-6H2,1-3H3
InChIKeyIZUWJRUXGGIBOA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.87
Rot. Bonds6

About 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one

3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one (PubChem CID 143093423) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one.

Molecular Properties

Compound Name3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
PubChem CID143093423
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
SMILESCCCCc1c[nH]c2ccc(OC(C)C(C)=O)cc12
InChIInChI=1S/C16H21NO2/c1-4-5-6-13-10-17-16-8-7-14(9-15(13)16)19-12(3)11(2)18/h7-10,12,17H,4-6H2,1-3H3
InChIKeyIZUWJRUXGGIBOA-UHFFFAOYSA-N
XLogP3.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037
[3-(2-aminoethyl)-1H-indol-5-yl] hexanoate;hydrochloride
CID 67642487
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline
CID 91113881

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one?
The IUPAC name of 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one (CID 143093423) is 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one.
What is the SMILES notation for 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one?
The canonical SMILES for 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one is CCCCc1c[nH]c2ccc(OC(C)C(C)=O)cc12.
What is the InChIKey of 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one?
The InChIKey is IZUWJRUXGGIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-5-6-13-10-17-16-8-7-14(9-15(13)16)19-12(3)11(2)18/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one?
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one is sourced from PubChem (CID 143093423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).