1-(7-ethoxy-1-benzofuran-2-yl)ethanone

C12H12O3 — CID 3868801

IUPAC1-(7-ethoxy-1-benzofuran-2-yl)ethanone
SMILESCCOc1cccc2cc(C(C)=O)oc12
InChIInChI=1S/C12H12O3/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-7H,3H2,1-2H3
InChIKeyVMJVQNUDBMVFAH-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.03
Rot. Bonds3

About 1-(7-ethoxy-1-benzofuran-2-yl)ethanone

1-(7-ethoxy-1-benzofuran-2-yl)ethanone (PubChem CID 3868801) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(7-ethoxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethoxy-1-benzofuran-2-yl)ethanone
PubChem CID3868801
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(7-ethoxy-1-benzofuran-2-yl)ethanone
SMILESCCOc1cccc2cc(C(C)=O)oc12
InChIInChI=1S/C12H12O3/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-7H,3H2,1-2H3
InChIKeyVMJVQNUDBMVFAH-UHFFFAOYSA-N
XLogP3.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-ethoxy-1-benzofuran-2-yl)ethanone (CID 3868801) is 1-(7-ethoxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-ethoxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-ethoxy-1-benzofuran-2-yl)ethanone is CCOc1cccc2cc(C(C)=O)oc12.
What is the InChIKey of 1-(7-ethoxy-1-benzofuran-2-yl)ethanone?
The InChIKey is VMJVQNUDBMVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-7H,3H2,1-2H3.
What are the key properties of 1-(7-ethoxy-1-benzofuran-2-yl)ethanone?
1-(7-ethoxy-1-benzofuran-2-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 3868801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).