1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone

C12H8Cl2O2 — CID 106687651

IUPAC1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2O2/c13-9-4-2-1-3-8(9)7-10(15)11-5-6-12(14)16-11/h1-6H,7H2
InChIKeyQNGADOAACAEYHW-UHFFFAOYSA-N
MW255.10 g/mol
LogP4.01
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone

1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone (PubChem CID 106687651) has the molecular formula C12H8Cl2O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
PubChem CID106687651
Molecular FormulaC12H8Cl2O2
Molecular Weight255.10 g/mol
Exact Mass253.99
IUPAC Name1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2O2/c13-9-4-2-1-3-8(9)7-10(15)11-5-6-12(14)16-11/h1-6H,7H2
InChIKeyQNGADOAACAEYHW-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(2-chlorophenyl)acetyl]furan-2-carboxylic acid
CID 106946683
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
1-(5-chlorofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
CID 106683771
1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
CID 89131529
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
1-(5-chlorofuran-2-yl)nonan-1-one
CID 106690921

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone (CID 106687651) is 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone is O=C(Cc1ccccc1Cl)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone?
The InChIKey is QNGADOAACAEYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2/c13-9-4-2-1-3-8(9)7-10(15)11-5-6-12(14)16-11/h1-6H,7H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone?
1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone has a molecular weight of 255.10 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 106687651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).