1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one

C15H19NO2 — CID 83162797

IUPAC1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
SMILESCCOc1cccc2[nH]cc(C(=O)CC(C)C)c12
InChIInChI=1S/C15H19NO2/c1-4-18-14-7-5-6-12-15(14)11(9-16-12)13(17)8-10(2)3/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyVIEGWPSVCCKAMC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one

1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one (PubChem CID 83162797) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
PubChem CID83162797
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
SMILESCCOc1cccc2[nH]cc(C(=O)CC(C)C)c12
InChIInChI=1S/C15H19NO2/c1-4-18-14-7-5-6-12-15(14)11(9-16-12)13(17)8-10(2)3/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyVIEGWPSVCCKAMC-UHFFFAOYSA-N
XLogP3.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
CID 83163248
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
4-ethoxy-3-ethyl-1H-indole
CID 171816854
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
CID 83162483

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one (CID 83162797) is 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one is CCOc1cccc2[nH]cc(C(=O)CC(C)C)c12.
What is the InChIKey of 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one?
The InChIKey is VIEGWPSVCCKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-18-14-7-5-6-12-15(14)11(9-16-12)13(17)8-10(2)3/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one?
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one is sourced from PubChem (CID 83162797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).