PZVILWVUPJTMJU-UHFFFAOYSA-N

C11H9ClOS — CID 17465366

IUPAC[5-(4-chlorophenyl)thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKeyPZVILWVUPJTMJU-UHFFFAOYSA-N
MW224.71 g/mol
LogP3.56
Rot. Bonds2

About PZVILWVUPJTMJU-UHFFFAOYSA-N

PZVILWVUPJTMJU-UHFFFAOYSA-N (PubChem CID 17465366) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is [5-(4-chlorophenyl)thiophen-2-yl]methanol.

Molecular Properties

Compound NamePZVILWVUPJTMJU-UHFFFAOYSA-N
PubChem CID17465366
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name[5-(4-chlorophenyl)thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKeyPZVILWVUPJTMJU-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze PZVILWVUPJTMJU-UHFFFAOYSA-N 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 PZVILWVUPJTMJU-UHFFFAOYSA-N?
The IUPAC name of PZVILWVUPJTMJU-UHFFFAOYSA-N (CID 17465366) is [5-(4-chlorophenyl)thiophen-2-yl]methanol.
What is the SMILES notation for PZVILWVUPJTMJU-UHFFFAOYSA-N?
The canonical SMILES for PZVILWVUPJTMJU-UHFFFAOYSA-N is OCc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of PZVILWVUPJTMJU-UHFFFAOYSA-N?
The InChIKey is PZVILWVUPJTMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2.
What are the key properties of PZVILWVUPJTMJU-UHFFFAOYSA-N?
PZVILWVUPJTMJU-UHFFFAOYSA-N has a molecular weight of 224.71 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for PZVILWVUPJTMJU-UHFFFAOYSA-N is sourced from PubChem (CID 17465366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).