1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone

C16H10Cl2O3 — CID 115573243

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10Cl2O3/c17-11-1-4-13(5-2-11)20-9-14(19)16-8-10-7-12(18)3-6-15(10)21-16/h1-8H,9H2
InChIKeyHYCYYPULDUFTBF-UHFFFAOYSA-N
MW321.16 g/mol
LogP5.00
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone

1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone (PubChem CID 115573243) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
PubChem CID115573243
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10Cl2O3/c17-11-1-4-13(5-2-11)20-9-14(19)16-8-10-7-12(18)3-6-15(10)21-16/h1-8H,9H2
InChIKeyHYCYYPULDUFTBF-UHFFFAOYSA-N
XLogP5.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.16
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 105132020
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9323491
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
1-(5-chloro-1-benzofuran-2-yl)-3-propoxypropan-1-one
CID 105132223
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 9270566
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 158161250

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone (CID 115573243) is 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone?
The InChIKey is HYCYYPULDUFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c17-11-1-4-13(5-2-11)20-9-14(19)16-8-10-7-12(18)3-6-15(10)21-16/h1-8H,9H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone?
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone has a molecular weight of 321.16 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone is sourced from PubChem (CID 115573243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).