1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone

C18H16O3 — CID 43800797

IUPAC1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H16O3/c19-16(13-20-11-10-14-6-2-1-3-7-14)18-12-15-8-4-5-9-17(15)21-18/h1-9,12H,10-11,13H2
InChIKeyZIKYQPIHDWKHBR-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.87
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone

1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone (PubChem CID 43800797) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
PubChem CID43800797
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H16O3/c19-16(13-20-11-10-14-6-2-1-3-7-14)18-12-15-8-4-5-9-17(15)21-18/h1-9,12H,10-11,13H2
InChIKeyZIKYQPIHDWKHBR-UHFFFAOYSA-N
XLogP3.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
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-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2340919

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone (CID 43800797) is 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone is O=C(COCCc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone?
The InChIKey is ZIKYQPIHDWKHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16(13-20-11-10-14-6-2-1-3-7-14)18-12-15-8-4-5-9-17(15)21-18/h1-9,12H,10-11,13H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone has a molecular weight of 280.32 g/mol, XLogP of 3.87, 6 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-(2-phenylethoxy)ethanone is sourced from PubChem (CID 43800797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).