5-phenylthiophen-3-ol

C10H8OS — CID 12504066

IUPAC5-phenylthiophen-3-ol
SMILESOc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H8OS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,11H
InChIKeyMUIAOKLWHSEJKB-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.12
Rot. Bonds1

About 5-phenylthiophen-3-ol

5-phenylthiophen-3-ol (PubChem CID 12504066) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-phenylthiophen-3-ol.

Molecular Properties

Compound Name5-phenylthiophen-3-ol
PubChem CID12504066
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name5-phenylthiophen-3-ol
SMILESOc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H8OS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,11H
InChIKeyMUIAOKLWHSEJKB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 5-phenylthiophen-3-ol 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 5-phenylthiophen-3-ol?
The IUPAC name of 5-phenylthiophen-3-ol (CID 12504066) is 5-phenylthiophen-3-ol.
What is the SMILES notation for 5-phenylthiophen-3-ol?
The canonical SMILES for 5-phenylthiophen-3-ol is Oc1csc(-c2ccccc2)c1.
What is the InChIKey of 5-phenylthiophen-3-ol?
The InChIKey is MUIAOKLWHSEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,11H.
What are the key properties of 5-phenylthiophen-3-ol?
5-phenylthiophen-3-ol 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 5-phenylthiophen-3-ol is sourced from PubChem (CID 12504066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).