4-(3-chlorocyclohexyl)-2-methylthiophene

C11H15ClS — CID 65102011

IUPAC4-(3-chlorocyclohexyl)-2-methylthiophene
SMILESCc1cc(C2CCCC(Cl)C2)cs1
InChIInChI=1S/C11H15ClS/c1-8-5-10(7-13-8)9-3-2-4-11(12)6-9/h5,7,9,11H,2-4,6H2,1H3
InChIKeyDFOISOAKFNCFPZ-UHFFFAOYSA-N
MW214.76 g/mol
LogP4.32
Rot. Bonds1

About 4-(3-chlorocyclohexyl)-2-methylthiophene

4-(3-chlorocyclohexyl)-2-methylthiophene (PubChem CID 65102011) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 4-(3-chlorocyclohexyl)-2-methylthiophene.

Molecular Properties

Compound Name4-(3-chlorocyclohexyl)-2-methylthiophene
PubChem CID65102011
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name4-(3-chlorocyclohexyl)-2-methylthiophene
SMILESCc1cc(C2CCCC(Cl)C2)cs1
InChIInChI=1S/C11H15ClS/c1-8-5-10(7-13-8)9-3-2-4-11(12)6-9/h5,7,9,11H,2-4,6H2,1H3
InChIKeyDFOISOAKFNCFPZ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorocyclohexyl)-2-methylthiophene?
The IUPAC name of 4-(3-chlorocyclohexyl)-2-methylthiophene (CID 65102011) is 4-(3-chlorocyclohexyl)-2-methylthiophene.
What is the SMILES notation for 4-(3-chlorocyclohexyl)-2-methylthiophene?
The canonical SMILES for 4-(3-chlorocyclohexyl)-2-methylthiophene is Cc1cc(C2CCCC(Cl)C2)cs1.
What is the InChIKey of 4-(3-chlorocyclohexyl)-2-methylthiophene?
The InChIKey is DFOISOAKFNCFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-8-5-10(7-13-8)9-3-2-4-11(12)6-9/h5,7,9,11H,2-4,6H2,1H3.
What are the key properties of 4-(3-chlorocyclohexyl)-2-methylthiophene?
4-(3-chlorocyclohexyl)-2-methylthiophene has a molecular weight of 214.76 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorocyclohexyl)-2-methylthiophene is sourced from PubChem (CID 65102011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).