1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone

C18H16O3 — CID 43411796

IUPAC1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
SMILESCCc1cccc(OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16O3/c1-2-13-6-5-8-15(10-13)20-12-16(19)18-11-14-7-3-4-9-17(14)21-18/h3-11H,2,12H2,1H3
InChIKeyYFQJXFMFUHWASA-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.26
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone (PubChem CID 43411796) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
PubChem CID43411796
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
SMILESCCc1cccc(OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16O3/c1-2-13-6-5-8-15(10-13)20-12-16(19)18-11-14-7-3-4-9-17(14)21-18/h3-11H,2,12H2,1H3
InChIKeyYFQJXFMFUHWASA-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797
propyl 2-(3-ethylphenoxy)acetate
CID 71628037

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone (CID 43411796) is 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone is CCc1cccc(OCC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone?
The InChIKey is YFQJXFMFUHWASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-13-6-5-8-15(10-13)20-12-16(19)18-11-14-7-3-4-9-17(14)21-18/h3-11H,2,12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone has a molecular weight of 280.32 g/mol, XLogP of 4.26, 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-(3-ethylphenoxy)ethanone is sourced from PubChem (CID 43411796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).