3-(2-ethenyl-4-methylphenyl)thiophene

C13H12S — CID 172650348

IUPAC3-(2-ethenyl-4-methylphenyl)thiophene
SMILESC=Cc1cc(C)ccc1-c1ccsc1
InChIInChI=1S/C13H12S/c1-3-11-8-10(2)4-5-13(11)12-6-7-14-9-12/h3-9H,1H2,2H3
InChIKeyVEIOHEGQHIWWCY-UHFFFAOYSA-N
MW200.31 g/mol
LogP4.37
Rot. Bonds2

About 3-(2-ethenyl-4-methylphenyl)thiophene

3-(2-ethenyl-4-methylphenyl)thiophene (PubChem CID 172650348) has the molecular formula C13H12S and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(2-ethenyl-4-methylphenyl)thiophene.

Molecular Properties

Compound Name3-(2-ethenyl-4-methylphenyl)thiophene
PubChem CID172650348
Molecular FormulaC13H12S
Molecular Weight200.31 g/mol
Exact Mass200.07
IUPAC Name3-(2-ethenyl-4-methylphenyl)thiophene
SMILESC=Cc1cc(C)ccc1-c1ccsc1
InChIInChI=1S/C13H12S/c1-3-11-8-10(2)4-5-13(11)12-6-7-14-9-12/h3-9H,1H2,2H3
InChIKeyVEIOHEGQHIWWCY-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-4-methylphenyl)thiophene?
The IUPAC name of 3-(2-ethenyl-4-methylphenyl)thiophene (CID 172650348) is 3-(2-ethenyl-4-methylphenyl)thiophene.
What is the SMILES notation for 3-(2-ethenyl-4-methylphenyl)thiophene?
The canonical SMILES for 3-(2-ethenyl-4-methylphenyl)thiophene is C=Cc1cc(C)ccc1-c1ccsc1.
What is the InChIKey of 3-(2-ethenyl-4-methylphenyl)thiophene?
The InChIKey is VEIOHEGQHIWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S/c1-3-11-8-10(2)4-5-13(11)12-6-7-14-9-12/h3-9H,1H2,2H3.
What are the key properties of 3-(2-ethenyl-4-methylphenyl)thiophene?
3-(2-ethenyl-4-methylphenyl)thiophene has a molecular weight of 200.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-4-methylphenyl)thiophene is sourced from PubChem (CID 172650348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).