4-bromo-3-methoxy-2-methylthiophene

C6H7BrOS — CID 71028801

IUPAC4-bromo-3-methoxy-2-methylthiophene
SMILESCOc1c(Br)csc1C
InChIInChI=1S/C6H7BrOS/c1-4-6(8-2)5(7)3-9-4/h3H,1-2H3
InChIKeyPHNZVBKQFPIIPP-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.83
Rot. Bonds1

About 4-bromo-3-methoxy-2-methylthiophene

4-bromo-3-methoxy-2-methylthiophene (PubChem CID 71028801) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 4-bromo-3-methoxy-2-methylthiophene.

Molecular Properties

Compound Name4-bromo-3-methoxy-2-methylthiophene
PubChem CID71028801
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name4-bromo-3-methoxy-2-methylthiophene
SMILESCOc1c(Br)csc1C
InChIInChI=1S/C6H7BrOS/c1-4-6(8-2)5(7)3-9-4/h3H,1-2H3
InChIKeyPHNZVBKQFPIIPP-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-methoxy-2-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-2-methylthiophene?
The IUPAC name of 4-bromo-3-methoxy-2-methylthiophene (CID 71028801) is 4-bromo-3-methoxy-2-methylthiophene.
What is the SMILES notation for 4-bromo-3-methoxy-2-methylthiophene?
The canonical SMILES for 4-bromo-3-methoxy-2-methylthiophene is COc1c(Br)csc1C.
What is the InChIKey of 4-bromo-3-methoxy-2-methylthiophene?
The InChIKey is PHNZVBKQFPIIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-4-6(8-2)5(7)3-9-4/h3H,1-2H3.
What are the key properties of 4-bromo-3-methoxy-2-methylthiophene?
4-bromo-3-methoxy-2-methylthiophene has a molecular weight of 207.09 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-2-methylthiophene is sourced from PubChem (CID 71028801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).