(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone

C11H9ClO2S — CID 102762834

IUPAC(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Cl)s2)o1
InChIInChI=1S/C11H9ClO2S/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3
InChIKeyAOPVKVLFKYIVFD-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.84
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone

(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 102762834) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
PubChem CID102762834
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Cl)s2)o1
InChIInChI=1S/C11H9ClO2S/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3
InChIKeyAOPVKVLFKYIVFD-UHFFFAOYSA-N
XLogP3.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone (CID 102762834) is (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2cc(C)c(Cl)s2)o1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is AOPVKVLFKYIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 240.71 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 102762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).