1-(4-methoxy-1H-indol-3-yl)butan-1-one

C13H15NO2 — CID 83163491

IUPAC1-(4-methoxy-1H-indol-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2cccc(OC)c12
InChIInChI=1S/C13H15NO2/c1-3-5-11(15)9-8-14-10-6-4-7-12(16-2)13(9)10/h4,6-8,14H,3,5H2,1-2H3
InChIKeyZZWZWXZSXOLDTQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-methoxy-1H-indol-3-yl)butan-1-one

1-(4-methoxy-1H-indol-3-yl)butan-1-one (PubChem CID 83163491) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-3-yl)butan-1-one
PubChem CID83163491
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(4-methoxy-1H-indol-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2cccc(OC)c12
InChIInChI=1S/C13H15NO2/c1-3-5-11(15)9-8-14-10-6-4-7-12(16-2)13(9)10/h4,6-8,14H,3,5H2,1-2H3
InChIKeyZZWZWXZSXOLDTQ-UHFFFAOYSA-N
XLogP3.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206823
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
CID 83163248

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(4-methoxy-1H-indol-3-yl)butan-1-one (CID 83163491) is 1-(4-methoxy-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(4-methoxy-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(4-methoxy-1H-indol-3-yl)butan-1-one is CCCC(=O)c1c[nH]c2cccc(OC)c12.
What is the InChIKey of 1-(4-methoxy-1H-indol-3-yl)butan-1-one?
The InChIKey is ZZWZWXZSXOLDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-5-11(15)9-8-14-10-6-4-7-12(16-2)13(9)10/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 1-(4-methoxy-1H-indol-3-yl)butan-1-one?
1-(4-methoxy-1H-indol-3-yl)butan-1-one has a molecular weight of 217.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 83163491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).