(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one

C17H14O4 — CID 82639612

IUPAC(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1cccc2cc(C(=O)/C=C/c3ccco3)oc12
InChIInChI=1S/C17H14O4/c1-2-19-15-7-3-5-12-11-16(21-17(12)15)14(18)9-8-13-6-4-10-20-13/h3-11H,2H2,1H3/b9-8+
InChIKeySTAQTNRGWOQPPN-CMDGGOBGSA-N
MW282.30 g/mol
LogP4.32
Rot. Bonds5

About (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 82639612) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID82639612
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1cccc2cc(C(=O)/C=C/c3ccco3)oc12
InChIInChI=1S/C17H14O4/c1-2-19-15-7-3-5-12-11-16(21-17(12)15)14(18)9-8-13-6-4-10-20-13/h3-11H,2H2,1H3/b9-8+
InChIKeySTAQTNRGWOQPPN-CMDGGOBGSA-N
XLogP4.32
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 82639612) is (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one is CCOc1cccc2cc(C(=O)/C=C/c3ccco3)oc12.
What is the InChIKey of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is STAQTNRGWOQPPN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H14O4/c1-2-19-15-7-3-5-12-11-16(21-17(12)15)14(18)9-8-13-6-4-10-20-13/h3-11H,2H2,1H3/b9-8+.
What are the key properties of (E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(7-ethoxy-1-benzofuran-2-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 282.30 g/mol, XLogP of 4.32, 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-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 82639612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).