4-[4-(1-thiophen-3-ylethyl)phenyl]oxane

C17H20OS — CID 145282703

IUPAC4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
SMILESCC(c1ccc(C2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H20OS/c1-13(17-8-11-19-12-17)14-2-4-15(5-3-14)16-6-9-18-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyJIIXOTLGEYWPGH-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.79
Rot. Bonds3

About 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane

4-[4-(1-thiophen-3-ylethyl)phenyl]oxane (PubChem CID 145282703) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane.

Molecular Properties

Compound Name4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
PubChem CID145282703
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
SMILESCC(c1ccc(C2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H20OS/c1-13(17-8-11-19-12-17)14-2-4-15(5-3-14)16-6-9-18-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyJIIXOTLGEYWPGH-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane 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 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane?
The IUPAC name of 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane (CID 145282703) is 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane.
What is the SMILES notation for 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane?
The canonical SMILES for 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane is CC(c1ccc(C2CCOCC2)cc1)c1ccsc1.
What is the InChIKey of 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane?
The InChIKey is JIIXOTLGEYWPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13(17-8-11-19-12-17)14-2-4-15(5-3-14)16-6-9-18-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3.
What are the key properties of 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane?
4-[4-(1-thiophen-3-ylethyl)phenyl]oxane has a molecular weight of 272.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-thiophen-3-ylethyl)phenyl]oxane is sourced from PubChem (CID 145282703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).