(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

C17H14O3S — CID 8830730

IUPAC(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCCOc1cccc2cc(C(=O)/C=C/c3cccs3)oc12
InChIInChI=1S/C17H14O3S/c1-2-19-15-7-3-5-12-11-16(20-17(12)15)14(18)9-8-13-6-4-10-21-13/h3-11H,2H2,1H3/b9-8+
InChIKeyGFUSENGNQRYTFT-CMDGGOBGSA-N
MW298.36 g/mol
LogP4.79
Rot. Bonds5

About (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 8830730) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID8830730
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCCOc1cccc2cc(C(=O)/C=C/c3cccs3)oc12
InChIInChI=1S/C17H14O3S/c1-2-19-15-7-3-5-12-11-16(20-17(12)15)14(18)9-8-13-6-4-10-21-13/h3-11H,2H2,1H3/b9-8+
InChIKeyGFUSENGNQRYTFT-CMDGGOBGSA-N
XLogP4.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
1-(7-Ethoxy-1-benzofuran-2-yl)ethan-1-one
CID 3868801
(5-Methoxy-benzofuran-3-yl)-thiophen-2-yl-methanone
CID 620971
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 14683312
1-Benzofuran-2-yl(2-thienyl)methanone
CID 684173
(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 5737875
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2105986
[2-(1-Benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2336432
2-Thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 24747935
Isupsl-cho-2-134B
CID 24818788
(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82639612
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8487700

Frequently Asked Questions

What is the IUPAC name of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 8830730) is (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is CCOc1cccc2cc(C(=O)/C=C/c3cccs3)oc12.
What is the InChIKey of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is GFUSENGNQRYTFT-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H14O3S/c1-2-19-15-7-3-5-12-11-16(20-17(12)15)14(18)9-8-13-6-4-10-21-13/h3-11H,2H2,1H3/b9-8+.
What are the key properties of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 298.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 8830730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).