1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone

C12H8Cl2O2 — CID 2805836

IUPAC1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H8Cl2O2/c1-7(15)11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6H,1H3
InChIKeyOKIAEODEHJLXGH-UHFFFAOYSA-N
MW255.10 g/mol
LogP4.46
Rot. Bonds2

About 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone

1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone (PubChem CID 2805836) has the molecular formula C12H8Cl2O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
PubChem CID2805836
Molecular FormulaC12H8Cl2O2
Molecular Weight255.10 g/mol
Exact Mass253.99
IUPAC Name1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H8Cl2O2/c1-7(15)11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6H,1H3
InChIKeyOKIAEODEHJLXGH-UHFFFAOYSA-N
XLogP4.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
1-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(dimethylamino)prop-2-en-1-one
CID 2805849
dimethyl 5-(5-acetylfuran-2-yl)benzene-1,3-dicarboxylate
CID 960529
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
1-[5-[4-(dimethylamino)phenyl]furan-2-yl]ethanone
CID 82541119
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
CID 65437595
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
CID 107530720
(E)-3-[5-(3-chlorophenyl)furan-2-yl]but-2-enoic acid
CID 82543979
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone (CID 2805836) is 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone?
The InChIKey is OKIAEODEHJLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2/c1-7(15)11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6H,1H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone?
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone has a molecular weight of 255.10 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone is sourced from PubChem (CID 2805836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).