2-ethyl-5-(4-methoxyphenyl)thiophene

C13H14OS — CID 21064460

IUPAC2-ethyl-5-(4-methoxyphenyl)thiophene
SMILESCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H14OS/c1-3-12-8-9-13(15-12)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyMPDLFLWMZGCIQC-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.99
Rot. Bonds3

About 2-ethyl-5-(4-methoxyphenyl)thiophene

2-ethyl-5-(4-methoxyphenyl)thiophene (PubChem CID 21064460) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxyphenyl)thiophene
PubChem CID21064460
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name2-ethyl-5-(4-methoxyphenyl)thiophene
SMILESCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H14OS/c1-3-12-8-9-13(15-12)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyMPDLFLWMZGCIQC-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-(4-methoxyphenyl)thiophene 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 2-ethyl-5-(4-methoxyphenyl)thiophene?
The IUPAC name of 2-ethyl-5-(4-methoxyphenyl)thiophene (CID 21064460) is 2-ethyl-5-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-ethyl-5-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-ethyl-5-(4-methoxyphenyl)thiophene is CCc1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-ethyl-5-(4-methoxyphenyl)thiophene?
The InChIKey is MPDLFLWMZGCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-3-12-8-9-13(15-12)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methoxyphenyl)thiophene?
2-ethyl-5-(4-methoxyphenyl)thiophene has a molecular weight of 218.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 21064460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).