1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one

C17H23NO2 — CID 83162556

IUPAC1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C17H23NO2/c1-4-5-6-9-15(19)13-11-18-14-8-7-10-16(17(13)14)20-12(2)3/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyWRZDRQXTQWMIGE-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.72
Rot. Bonds7

About 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one

1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one (PubChem CID 83162556) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
PubChem CID83162556
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C17H23NO2/c1-4-5-6-9-15(19)13-11-18-14-8-7-10-16(17(13)14)20-12(2)3/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyWRZDRQXTQWMIGE-UHFFFAOYSA-N
XLogP4.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
CID 83163248
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
(2-propan-2-yloxyphenyl) octanoate
CID 573469
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] hexanoate
CID 177196026

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one?
The IUPAC name of 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one (CID 83162556) is 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one.
What is the SMILES notation for 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one?
The canonical SMILES for 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one is CCCCCC(=O)c1c[nH]c2cccc(OC(C)C)c12.
What is the InChIKey of 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one?
The InChIKey is WRZDRQXTQWMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-5-6-9-15(19)13-11-18-14-8-7-10-16(17(13)14)20-12(2)3/h7-8,10-12,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one?
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one is sourced from PubChem (CID 83162556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).