4-thiophen-3-ylphenol

C10H8OS — CID 4130342

IUPAC4-thiophen-3-ylphenol
SMILESOc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H
InChIKeyOSVHLBAYRTYKBI-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.12
Rot. Bonds1

About 4-thiophen-3-ylphenol

4-thiophen-3-ylphenol (PubChem CID 4130342) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-thiophen-3-ylphenol.

Molecular Properties

Compound Name4-thiophen-3-ylphenol
PubChem CID4130342
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name4-thiophen-3-ylphenol
SMILESOc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H
InChIKeyOSVHLBAYRTYKBI-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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylphenol?
The IUPAC name of 4-thiophen-3-ylphenol (CID 4130342) is 4-thiophen-3-ylphenol.
What is the SMILES notation for 4-thiophen-3-ylphenol?
The canonical SMILES for 4-thiophen-3-ylphenol is Oc1ccc(-c2ccsc2)cc1.
What is the InChIKey of 4-thiophen-3-ylphenol?
The InChIKey is OSVHLBAYRTYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H.
What are the key properties of 4-thiophen-3-ylphenol?
4-thiophen-3-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 4-thiophen-3-ylphenol is sourced from PubChem (CID 4130342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).