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

C10H6Cl2O2S — CID 43463797

IUPAC(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C10H6Cl2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h2-4H,1H3
InChIKeySCEMNICIQHMXKR-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.19
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 43463797) has the molecular formula C10H6Cl2O2S and a molecular weight of 261.13 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
PubChem CID43463797
Molecular FormulaC10H6Cl2O2S
Molecular Weight261.13 g/mol
Exact Mass259.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C10H6Cl2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h2-4H,1H3
InChIKeySCEMNICIQHMXKR-UHFFFAOYSA-N
XLogP4.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone
CID 43463545
(3,5-dimethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 81155979
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone (CID 43463797) is (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2cc(Cl)sc2Cl)o1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is SCEMNICIQHMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h2-4H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 261.13 g/mol, XLogP of 4.19, 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)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).