1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone

C18H16O3 — CID 114726260

IUPAC1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-20-18(13-8-4-3-5-9-13)17(19)16-12-14-10-6-7-11-15(14)21-16/h3-12,18H,2H2,1H3
InChIKeyVBDRKZGUQVMGSG-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.39
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone

1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone (PubChem CID 114726260) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
PubChem CID114726260
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-20-18(13-8-4-3-5-9-13)17(19)16-12-14-10-6-7-11-15(14)21-16/h3-12,18H,2H2,1H3
InChIKeyVBDRKZGUQVMGSG-UHFFFAOYSA-N
XLogP4.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
CID 171632715
CID 171632715
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone (CID 114726260) is 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone is CCOC(C(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone?
The InChIKey is VBDRKZGUQVMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-20-18(13-8-4-3-5-9-13)17(19)16-12-14-10-6-7-11-15(14)21-16/h3-12,18H,2H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone?
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone has a molecular weight of 280.32 g/mol, XLogP of 4.39, 5 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-ethoxy-2-phenylethanone is sourced from PubChem (CID 114726260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).