1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone

C12H7Cl3O2 — CID 106687701

IUPAC1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H7Cl3O2/c13-8-2-1-7(5-9(8)14)6-10(16)11-3-4-12(15)17-11/h1-5H,6H2
InChIKeyOMPBBXZDUXXCPB-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.67
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone

1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 106687701) has the molecular formula C12H7Cl3O2 and a molecular weight of 289.55 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID106687701
Molecular FormulaC12H7Cl3O2
Molecular Weight289.55 g/mol
Exact Mass287.95
IUPAC Name1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H7Cl3O2/c13-8-2-1-7(5-9(8)14)6-10(16)11-3-4-12(15)17-11/h1-5H,6H2
InChIKeyOMPBBXZDUXXCPB-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
CID 106687651
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(5-chlorofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
CID 106683771
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone (CID 106687701) is 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is OMPBBXZDUXXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2/c13-8-2-1-7(5-9(8)14)6-10(16)11-3-4-12(15)17-11/h1-5H,6H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone?
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 289.55 g/mol, XLogP of 4.67, 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-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 106687701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).