2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one

C16H20O2 — CID 63497652

IUPAC2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
SMILESCCc1oc2ccccc2c1C(=O)C(CC)CC
InChIInChI=1S/C16H20O2/c1-4-11(5-2)16(17)15-12-9-7-8-10-14(12)18-13(15)6-3/h7-11H,4-6H2,1-3H3
InChIKeyUQHOYBRVIWAUMX-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.61
Rot. Bonds5

About 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one

2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one (PubChem CID 63497652) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
PubChem CID63497652
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
SMILESCCc1oc2ccccc2c1C(=O)C(CC)CC
InChIInChI=1S/C16H20O2/c1-4-11(5-2)16(17)15-12-9-7-8-10-14(12)18-13(15)6-3/h7-11H,4-6H2,1-3H3
InChIKeyUQHOYBRVIWAUMX-UHFFFAOYSA-N
XLogP4.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
CID 63496415
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide
CID 126769688
(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79759524
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
dibenzofuran;ethanol
CID 174821059
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one (CID 63497652) is 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one is CCc1oc2ccccc2c1C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one?
The InChIKey is UQHOYBRVIWAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-11(5-2)16(17)15-12-9-7-8-10-14(12)18-13(15)6-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one?
2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one has a molecular weight of 244.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one is sourced from PubChem (CID 63497652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).