3-methyl-4-phenylthiophene

C11H10S — CID 11993868

IUPAC3-methyl-4-phenylthiophene
SMILESCc1cscc1-c1ccccc1
InChIInChI=1S/C11H10S/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyWHBGQMUVLIUNQW-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.72
Rot. Bonds1

About 3-methyl-4-phenylthiophene

3-methyl-4-phenylthiophene (PubChem CID 11993868) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-methyl-4-phenylthiophene.

Molecular Properties

Compound Name3-methyl-4-phenylthiophene
PubChem CID11993868
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name3-methyl-4-phenylthiophene
SMILESCc1cscc1-c1ccccc1
InChIInChI=1S/C11H10S/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyWHBGQMUVLIUNQW-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylthiophene?
The IUPAC name of 3-methyl-4-phenylthiophene (CID 11993868) is 3-methyl-4-phenylthiophene.
What is the SMILES notation for 3-methyl-4-phenylthiophene?
The canonical SMILES for 3-methyl-4-phenylthiophene is Cc1cscc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenylthiophene?
The InChIKey is WHBGQMUVLIUNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-methyl-4-phenylthiophene?
3-methyl-4-phenylthiophene has a molecular weight of 174.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylthiophene is sourced from PubChem (CID 11993868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).