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

C15H18O2 — CID 62957846

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
SMILESCCc1oc2ccccc2c1C(=O)CC(C)C
InChIInChI=1S/C15H18O2/c1-4-13-15(12(16)9-10(2)3)11-7-5-6-8-14(11)17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyYTCPMCLDLDVHOT-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.22
Rot. Bonds4

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

1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one (PubChem CID 62957846) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
PubChem CID62957846
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
SMILESCCc1oc2ccccc2c1C(=O)CC(C)C
InChIInChI=1S/C15H18O2/c1-4-13-15(12(16)9-10(2)3)11-7-5-6-8-14(11)17-13/h5-8,10H,4,9H2,1-3H3
InChIKeyYTCPMCLDLDVHOT-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652
1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
CID 63496415
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
2-ethyl-N-(oxan-4-yl)-N-propan-2-yl-1-benzofuran-3-carboxamide
CID 126769688
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
(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
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one (CID 62957846) is 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one is CCc1oc2ccccc2c1C(=O)CC(C)C.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one?
The InChIKey is YTCPMCLDLDVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-13-15(12(16)9-10(2)3)11-7-5-6-8-14(11)17-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one?
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one has a molecular weight of 230.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one is sourced from PubChem (CID 62957846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).