2-(4-chlorophenyl)-5-methylthiophene

C11H9ClS — CID 13356220

IUPAC2-(4-chlorophenyl)-5-methylthiophene
SMILESCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClS/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3
InChIKeyGBLWSTQLFZYTQU-UHFFFAOYSA-N
MW208.71 g/mol
LogP4.38
Rot. Bonds1

About 2-(4-chlorophenyl)-5-methylthiophene

2-(4-chlorophenyl)-5-methylthiophene (PubChem CID 13356220) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methylthiophene
PubChem CID13356220
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name2-(4-chlorophenyl)-5-methylthiophene
SMILESCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClS/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3
InChIKeyGBLWSTQLFZYTQU-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methylthiophene?
The IUPAC name of 2-(4-chlorophenyl)-5-methylthiophene (CID 13356220) is 2-(4-chlorophenyl)-5-methylthiophene.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methylthiophene?
The canonical SMILES for 2-(4-chlorophenyl)-5-methylthiophene is Cc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methylthiophene?
The InChIKey is GBLWSTQLFZYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methylthiophene?
2-(4-chlorophenyl)-5-methylthiophene has a molecular weight of 208.71 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methylthiophene is sourced from PubChem (CID 13356220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).