3-(2-ethenyl-5-methoxyphenyl)thiophene

C13H12OS — CID 172650339

IUPAC3-(2-ethenyl-5-methoxyphenyl)thiophene
SMILESC=Cc1ccc(OC)cc1-c1ccsc1
InChIInChI=1S/C13H12OS/c1-3-10-4-5-12(14-2)8-13(10)11-6-7-15-9-11/h3-9H,1H2,2H3
InChIKeyHPZDNDQURKTARP-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.07
Rot. Bonds3

About 3-(2-ethenyl-5-methoxyphenyl)thiophene

3-(2-ethenyl-5-methoxyphenyl)thiophene (PubChem CID 172650339) has the molecular formula C13H12OS and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-(2-ethenyl-5-methoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(2-ethenyl-5-methoxyphenyl)thiophene
PubChem CID172650339
Molecular FormulaC13H12OS
Molecular Weight216.30 g/mol
Exact Mass216.06
IUPAC Name3-(2-ethenyl-5-methoxyphenyl)thiophene
SMILESC=Cc1ccc(OC)cc1-c1ccsc1
InChIInChI=1S/C13H12OS/c1-3-10-4-5-12(14-2)8-13(10)11-6-7-15-9-11/h3-9H,1H2,2H3
InChIKeyHPZDNDQURKTARP-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethenyl-5-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

Related Compounds

3-(2-ethenyl-4-methylphenyl)thiophene
CID 172650348
3-(2-ethenyl-6-methoxyphenyl)thiophene
CID 172650323
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene
CID 167053134
2-ethenyl-5-methoxy-N,N-dimethylaniline
CID 170076614
6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
CID 64980900
3-methoxy-5-thiophen-3-ylphenol
CID 53220697
7-ethenyl-5-methylcyclopenta[c]thiopyran
CID 174847681
3-(4-chloro-3-ethenylphenyl)thiophene
CID 172650432
N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
CID 70440350
ethane;3-methoxythiophene
CID 143563257

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-5-methoxyphenyl)thiophene?
The IUPAC name of 3-(2-ethenyl-5-methoxyphenyl)thiophene (CID 172650339) is 3-(2-ethenyl-5-methoxyphenyl)thiophene.
What is the SMILES notation for 3-(2-ethenyl-5-methoxyphenyl)thiophene?
The canonical SMILES for 3-(2-ethenyl-5-methoxyphenyl)thiophene is C=Cc1ccc(OC)cc1-c1ccsc1.
What is the InChIKey of 3-(2-ethenyl-5-methoxyphenyl)thiophene?
The InChIKey is HPZDNDQURKTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-3-10-4-5-12(14-2)8-13(10)11-6-7-15-9-11/h3-9H,1H2,2H3.
What are the key properties of 3-(2-ethenyl-5-methoxyphenyl)thiophene?
3-(2-ethenyl-5-methoxyphenyl)thiophene has a molecular weight of 216.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-5-methoxyphenyl)thiophene is sourced from PubChem (CID 172650339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).