2-[(4-chlorophenyl)methyl]thiophene

C11H9ClS — CID 10560337

IUPAC2-[(4-chlorophenyl)methyl]thiophene
SMILESClc1ccc(Cc2cccs2)cc1
InChIInChI=1S/C11H9ClS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2
InChIKeyWHHHHDCPJAZHFA-UHFFFAOYSA-N
MW208.71 g/mol
LogP3.99
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]thiophene

2-[(4-chlorophenyl)methyl]thiophene (PubChem CID 10560337) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]thiophene
PubChem CID10560337
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name2-[(4-chlorophenyl)methyl]thiophene
SMILESClc1ccc(Cc2cccs2)cc1
InChIInChI=1S/C11H9ClS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2
InChIKeyWHHHHDCPJAZHFA-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-chlorophenyl)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]thiophene?
The IUPAC name of 2-[(4-chlorophenyl)methyl]thiophene (CID 10560337) is 2-[(4-chlorophenyl)methyl]thiophene.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]thiophene?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]thiophene is Clc1ccc(Cc2cccs2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]thiophene?
The InChIKey is WHHHHDCPJAZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]thiophene?
2-[(4-chlorophenyl)methyl]thiophene has a molecular weight of 208.71 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]thiophene is sourced from PubChem (CID 10560337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).