3-phenyl-4-propoxythiophene

C13H14OS — CID 57117902

IUPAC3-phenyl-4-propoxythiophene
SMILESCCCOc1cscc1-c1ccccc1
InChIInChI=1S/C13H14OS/c1-2-8-14-13-10-15-9-12(13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyHETSSSAQCHLUSZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.20
Rot. Bonds4

About 3-phenyl-4-propoxythiophene

3-phenyl-4-propoxythiophene (PubChem CID 57117902) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-phenyl-4-propoxythiophene.

Molecular Properties

Compound Name3-phenyl-4-propoxythiophene
PubChem CID57117902
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name3-phenyl-4-propoxythiophene
SMILESCCCOc1cscc1-c1ccccc1
InChIInChI=1S/C13H14OS/c1-2-8-14-13-10-15-9-12(13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyHETSSSAQCHLUSZ-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-4-propoxythiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethoxymethoxy)-4-phenylthiophene
CID 172627115
3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene
CID 146605301
(4-phenyl-3-propoxyphenyl)boronic acid
CID 91576378
1-octadecoxy-2-phenylbenzene
CID 70983974
3-phenyl-4-propoxy-1H-indole
CID 90764828
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
2-phenyl-6-propoxybenzamide
CID 57275841
4-butoxy-3-phenylpyridine
CID 91002416
3-tert-butyl-4-propoxythiophene
CID 59679232
2-phenyl-3-propoxyphenol
CID 155695054
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
5-phenyl-4-propoxy-1,2-oxazole
CID 173144259

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propoxythiophene?
The IUPAC name of 3-phenyl-4-propoxythiophene (CID 57117902) is 3-phenyl-4-propoxythiophene.
What is the SMILES notation for 3-phenyl-4-propoxythiophene?
The canonical SMILES for 3-phenyl-4-propoxythiophene is CCCOc1cscc1-c1ccccc1.
What is the InChIKey of 3-phenyl-4-propoxythiophene?
The InChIKey is HETSSSAQCHLUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-2-8-14-13-10-15-9-12(13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 3-phenyl-4-propoxythiophene?
3-phenyl-4-propoxythiophene has a molecular weight of 218.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propoxythiophene is sourced from PubChem (CID 57117902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).