1-(1-benzofuran-2-yl)-2-ethoxyethanone

C12H12O3 — CID 43799572

IUPAC1-(1-benzofuran-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O3/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyMRSYUCSACIYVTI-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.65
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-ethoxyethanone

1-(1-benzofuran-2-yl)-2-ethoxyethanone (PubChem CID 43799572) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-ethoxyethanone
PubChem CID43799572
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(1-benzofuran-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12O3/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3
InChIKeyMRSYUCSACIYVTI-UHFFFAOYSA-N
XLogP2.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxyethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxyethanone (CID 43799572) is 1-(1-benzofuran-2-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-ethoxyethanone is CCOCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-ethoxyethanone?
The InChIKey is MRSYUCSACIYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-14-8-10(13)12-7-9-5-3-4-6-11(9)15-12/h3-7H,2,8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-ethoxyethanone?
1-(1-benzofuran-2-yl)-2-ethoxyethanone has a molecular weight of 204.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-ethoxyethanone is sourced from PubChem (CID 43799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).