[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone

C16H16O2S — CID 135283503

IUPAC[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(C2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C16H16O2S/c17-16(15-7-10-19-11-15)14-3-1-12(2-4-14)13-5-8-18-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyYOYLOSOWPGWDFL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.87
Rot. Bonds3

About [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone

[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone (PubChem CID 135283503) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone
PubChem CID135283503
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(C2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C16H16O2S/c17-16(15-7-10-19-11-15)14-3-1-12(2-4-14)13-5-8-18-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyYOYLOSOWPGWDFL-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone 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-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone (CID 135283503) is [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone is O=C(c1ccc(C2CCOCC2)cc1)c1ccsc1.
What is the InChIKey of [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone?
The InChIKey is YOYLOSOWPGWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c17-16(15-7-10-19-11-15)14-3-1-12(2-4-14)13-5-8-18-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2.
What are the key properties of [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone?
[4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone is sourced from PubChem (CID 135283503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).