3-methoxy-2,4,5-trimethylthiophene

C8H12OS — CID 19831302

IUPAC3-methoxy-2,4,5-trimethylthiophene
SMILESCOc1c(C)sc(C)c1C
InChIInChI=1S/C8H12OS/c1-5-6(2)10-7(3)8(5)9-4/h1-4H3
InChIKeyOHMNTVHAFCUYAM-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.68
Rot. Bonds1

About 3-methoxy-2,4,5-trimethylthiophene

3-methoxy-2,4,5-trimethylthiophene (PubChem CID 19831302) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-methoxy-2,4,5-trimethylthiophene.

Molecular Properties

Compound Name3-methoxy-2,4,5-trimethylthiophene
PubChem CID19831302
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-methoxy-2,4,5-trimethylthiophene
SMILESCOc1c(C)sc(C)c1C
InChIInChI=1S/C8H12OS/c1-5-6(2)10-7(3)8(5)9-4/h1-4H3
InChIKeyOHMNTVHAFCUYAM-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,5-trimethylthiophene?
The IUPAC name of 3-methoxy-2,4,5-trimethylthiophene (CID 19831302) is 3-methoxy-2,4,5-trimethylthiophene.
What is the SMILES notation for 3-methoxy-2,4,5-trimethylthiophene?
The canonical SMILES for 3-methoxy-2,4,5-trimethylthiophene is COc1c(C)sc(C)c1C.
What is the InChIKey of 3-methoxy-2,4,5-trimethylthiophene?
The InChIKey is OHMNTVHAFCUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-5-6(2)10-7(3)8(5)9-4/h1-4H3.
What are the key properties of 3-methoxy-2,4,5-trimethylthiophene?
3-methoxy-2,4,5-trimethylthiophene has a molecular weight of 156.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,5-trimethylthiophene is sourced from PubChem (CID 19831302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).