(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone

C11H8Cl2O2S — CID 43463798

IUPAC(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)sc2Cl)c(C)o1
InChIInChI=1S/C11H8Cl2O2S/c1-5-3-7(6(2)15-5)10(14)8-4-9(12)16-11(8)13/h3-4H,1-2H3
InChIKeyOCTLXTANZFQDIX-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.50
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 43463798) has the molecular formula C11H8Cl2O2S and a molecular weight of 275.16 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID43463798
Molecular FormulaC11H8Cl2O2S
Molecular Weight275.16 g/mol
Exact Mass273.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)sc2Cl)c(C)o1
InChIInChI=1S/C11H8Cl2O2S/c1-5-3-7(6(2)15-5)10(14)8-4-9(12)16-11(8)13/h3-4H,1-2H3
InChIKeyOCTLXTANZFQDIX-UHFFFAOYSA-N
XLogP4.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
CID 43463797
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 39769818
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone (CID 43463798) is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2cc(Cl)sc2Cl)c(C)o1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is OCTLXTANZFQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2S/c1-5-3-7(6(2)15-5)10(14)8-4-9(12)16-11(8)13/h3-4H,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 275.16 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 43463798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).