1-(7-ethyl-1-benzofuran-2-yl)butan-1-one

C14H16O2 — CID 65427841

IUPAC1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2cccc(CC)c2o1
InChIInChI=1S/C14H16O2/c1-3-6-12(15)13-9-11-8-5-7-10(4-2)14(11)16-13/h5,7-9H,3-4,6H2,1-2H3
InChIKeyKGYQPHIUBYGIMN-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.98
Rot. Bonds4

About 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one

1-(7-ethyl-1-benzofuran-2-yl)butan-1-one (PubChem CID 65427841) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
PubChem CID65427841
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2cccc(CC)c2o1
InChIInChI=1S/C14H16O2/c1-3-6-12(15)13-9-11-8-5-7-10(4-2)14(11)16-13/h5,7-9H,3-4,6H2,1-2H3
InChIKeyKGYQPHIUBYGIMN-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
CID 65427670
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114736731
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one (CID 65427841) is 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one is CCCC(=O)c1cc2cccc(CC)c2o1.
What is the InChIKey of 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one?
The InChIKey is KGYQPHIUBYGIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-6-12(15)13-9-11-8-5-7-10(4-2)14(11)16-13/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one?
1-(7-ethyl-1-benzofuran-2-yl)butan-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 65427841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).