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

C16H20O2 — CID 63496415

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1c(CC)oc2ccccc12
InChIInChI=1S/C16H20O2/c1-4-8-11(3)16(17)15-12-9-6-7-10-14(12)18-13(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyBXPDNFFNEJMTSK-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.61
Rot. Bonds5

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

1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one (PubChem CID 63496415) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
PubChem CID63496415
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1c(CC)oc2ccccc12
InChIInChI=1S/C16H20O2/c1-4-8-11(3)16(17)15-12-9-6-7-10-14(12)18-13(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyBXPDNFFNEJMTSK-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

2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
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
1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
CID 62955226
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one (CID 63496415) is 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1c(CC)oc2ccccc12.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one?
The InChIKey is BXPDNFFNEJMTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-8-11(3)16(17)15-12-9-6-7-10-14(12)18-13(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one?
1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-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 1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one is sourced from PubChem (CID 63496415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).