1-(3-chlorophenyl)-1-thiophen-3-ylethanol

C12H11ClOS — CID 65099490

IUPAC1-(3-chlorophenyl)-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-8,14H,1H3
InChIKeyZKZOKIGLAAZVSH-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.66
Rot. Bonds2

About 1-(3-chlorophenyl)-1-thiophen-3-ylethanol

1-(3-chlorophenyl)-1-thiophen-3-ylethanol (PubChem CID 65099490) has the molecular formula C12H11ClOS and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-thiophen-3-ylethanol
PubChem CID65099490
Molecular FormulaC12H11ClOS
Molecular Weight238.74 g/mol
Exact Mass238.02
IUPAC Name1-(3-chlorophenyl)-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-8,14H,1H3
InChIKeyZKZOKIGLAAZVSH-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-1-thiophen-3-ylethanol 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 1-(3-chlorophenyl)-1-thiophen-3-ylethanol?
The IUPAC name of 1-(3-chlorophenyl)-1-thiophen-3-ylethanol (CID 65099490) is 1-(3-chlorophenyl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-chlorophenyl)-1-thiophen-3-ylethanol is CC(O)(c1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-thiophen-3-ylethanol?
The InChIKey is ZKZOKIGLAAZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-8,14H,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-thiophen-3-ylethanol?
1-(3-chlorophenyl)-1-thiophen-3-ylethanol has a molecular weight of 238.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 65099490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).