3-phenoxythiophene

C10H8OS — CID 7018947

IUPAC3-phenoxythiophene
SMILESc1ccc(Oc2ccsc2)cc1
InChIInChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
InChIKeyDXSHUWUDKNEGFS-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.54
Rot. Bonds2

About 3-phenoxythiophene

3-phenoxythiophene (PubChem CID 7018947) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-phenoxythiophene.

Molecular Properties

Compound Name3-phenoxythiophene
PubChem CID7018947
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name3-phenoxythiophene
SMILESc1ccc(Oc2ccsc2)cc1
InChIInChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
InChIKeyDXSHUWUDKNEGFS-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxythiophene?
The IUPAC name of 3-phenoxythiophene (CID 7018947) is 3-phenoxythiophene.
What is the SMILES notation for 3-phenoxythiophene?
The canonical SMILES for 3-phenoxythiophene is c1ccc(Oc2ccsc2)cc1.
What is the InChIKey of 3-phenoxythiophene?
The InChIKey is DXSHUWUDKNEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H.
What are the key properties of 3-phenoxythiophene?
3-phenoxythiophene has a molecular weight of 176.24 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxythiophene is sourced from PubChem (CID 7018947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).