3-(2-methoxyethoxy)-4-methylthiophene

C8H12O2S — CID 14473216

IUPAC3-(2-methoxyethoxy)-4-methylthiophene
SMILESCOCCOc1cscc1C
InChIInChI=1S/C8H12O2S/c1-7-5-11-6-8(7)10-4-3-9-2/h5-6H,3-4H2,1-2H3
InChIKeyFIOKHGQQEXNADI-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.08
Rot. Bonds4

About 3-(2-methoxyethoxy)-4-methylthiophene

3-(2-methoxyethoxy)-4-methylthiophene (PubChem CID 14473216) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-4-methylthiophene.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-4-methylthiophene
PubChem CID14473216
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3-(2-methoxyethoxy)-4-methylthiophene
SMILESCOCCOc1cscc1C
InChIInChI=1S/C8H12O2S/c1-7-5-11-6-8(7)10-4-3-9-2/h5-6H,3-4H2,1-2H3
InChIKeyFIOKHGQQEXNADI-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-4-methylthiophene?
The IUPAC name of 3-(2-methoxyethoxy)-4-methylthiophene (CID 14473216) is 3-(2-methoxyethoxy)-4-methylthiophene.
What is the SMILES notation for 3-(2-methoxyethoxy)-4-methylthiophene?
The canonical SMILES for 3-(2-methoxyethoxy)-4-methylthiophene is COCCOc1cscc1C.
What is the InChIKey of 3-(2-methoxyethoxy)-4-methylthiophene?
The InChIKey is FIOKHGQQEXNADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-7-5-11-6-8(7)10-4-3-9-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-4-methylthiophene?
3-(2-methoxyethoxy)-4-methylthiophene has a molecular weight of 172.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-4-methylthiophene is sourced from PubChem (CID 14473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).