3-methoxy-4-propan-2-ylthiophene

C8H12OS — CID 23588966

IUPAC3-methoxy-4-propan-2-ylthiophene
SMILESCOc1cscc1C(C)C
InChIInChI=1S/C8H12OS/c1-6(2)7-4-10-5-8(7)9-3/h4-6H,1-3H3
InChIKeyWLENWZIFJFWOHT-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.88
Rot. Bonds2

About 3-methoxy-4-propan-2-ylthiophene

3-methoxy-4-propan-2-ylthiophene (PubChem CID 23588966) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-ylthiophene.

Molecular Properties

Compound Name3-methoxy-4-propan-2-ylthiophene
PubChem CID23588966
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-methoxy-4-propan-2-ylthiophene
SMILESCOc1cscc1C(C)C
InChIInChI=1S/C8H12OS/c1-6(2)7-4-10-5-8(7)9-3/h4-6H,1-3H3
InChIKeyWLENWZIFJFWOHT-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-ylthiophene?
The IUPAC name of 3-methoxy-4-propan-2-ylthiophene (CID 23588966) is 3-methoxy-4-propan-2-ylthiophene.
What is the SMILES notation for 3-methoxy-4-propan-2-ylthiophene?
The canonical SMILES for 3-methoxy-4-propan-2-ylthiophene is COc1cscc1C(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-ylthiophene?
The InChIKey is WLENWZIFJFWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-6(2)7-4-10-5-8(7)9-3/h4-6H,1-3H3.
What are the key properties of 3-methoxy-4-propan-2-ylthiophene?
3-methoxy-4-propan-2-ylthiophene has a molecular weight of 156.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-ylthiophene is sourced from PubChem (CID 23588966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).