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

C17H23NO2 — CID 83163248

IUPAC4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
SMILESCC(C)CCC(=O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C17H23NO2/c1-11(2)8-9-15(19)13-10-18-14-6-5-7-16(17(13)14)20-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeySDGQOZCGOPDWEU-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.57
Rot. Bonds6

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

4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one (PubChem CID 83163248) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
PubChem CID83163248
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
SMILESCC(C)CCC(=O)c1c[nH]c2cccc(OC(C)C)c12
InChIInChI=1S/C17H23NO2/c1-11(2)8-9-15(19)13-10-18-14-6-5-7-16(17(13)14)20-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeySDGQOZCGOPDWEU-UHFFFAOYSA-N
XLogP4.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
CID 115563251
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
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
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one (CID 83163248) is 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one is CC(C)CCC(=O)c1c[nH]c2cccc(OC(C)C)c12.
What is the InChIKey of 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one?
The InChIKey is SDGQOZCGOPDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)8-9-15(19)13-10-18-14-6-5-7-16(17(13)14)20-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one?
4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one is sourced from PubChem (CID 83163248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).