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

C17H14O4 — CID 43612267

IUPAC1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)c1coc2ccccc12
InChIInChI=1S/C17H14O4/c1-19-16-8-4-5-9-17(16)21-11-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-10H,11H2,1H3
InChIKeyZYOWTDJRWDXCMJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.70
Rot. Bonds5

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

1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone (PubChem CID 43612267) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
PubChem CID43612267
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)c1coc2ccccc12
InChIInChI=1S/C17H14O4/c1-19-16-8-4-5-9-17(16)21-11-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-10H,11H2,1H3
InChIKeyZYOWTDJRWDXCMJ-UHFFFAOYSA-N
XLogP3.70
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
CID 62032360
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82718215
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
CID 22925275
N-[(E)-1-(1-benzofuran-3-yl)ethylideneamino]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 172986554
N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone (CID 43612267) is 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone?
The InChIKey is ZYOWTDJRWDXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-16-8-4-5-9-17(16)21-11-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-10H,11H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone?
1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone has a molecular weight of 282.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 43612267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).