3-thiophen-2-ylphenol

C10H8OS — CID 3564196

IUPAC3-thiophen-2-ylphenol
SMILESOc1cccc(-c2cccs2)c1
InChIInChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H
InChIKeyJNRLPFAEBJQNQG-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.12
Rot. Bonds1

About 3-thiophen-2-ylphenol

3-thiophen-2-ylphenol (PubChem CID 3564196) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-thiophen-2-ylphenol.

Molecular Properties

Compound Name3-thiophen-2-ylphenol
PubChem CID3564196
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name3-thiophen-2-ylphenol
SMILESOc1cccc(-c2cccs2)c1
InChIInChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H
InChIKeyJNRLPFAEBJQNQG-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-thiophen-2-ylphenol 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 3-thiophen-2-ylphenol?
The IUPAC name of 3-thiophen-2-ylphenol (CID 3564196) is 3-thiophen-2-ylphenol.
What is the SMILES notation for 3-thiophen-2-ylphenol?
The canonical SMILES for 3-thiophen-2-ylphenol is Oc1cccc(-c2cccs2)c1.
What is the InChIKey of 3-thiophen-2-ylphenol?
The InChIKey is JNRLPFAEBJQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H.
What are the key properties of 3-thiophen-2-ylphenol?
3-thiophen-2-ylphenol has a molecular weight of 176.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylphenol is sourced from PubChem (CID 3564196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).