3-fluoro-7-methoxy-4-methyl-1-benzothiophene

C10H9FOS — CID 130883958

IUPAC3-fluoro-7-methoxy-4-methyl-1-benzothiophene
SMILESCOc1ccc(C)c2c(F)csc12
InChIInChI=1S/C10H9FOS/c1-6-3-4-8(12-2)10-9(6)7(11)5-13-10/h3-5H,1-2H3
InChIKeyBBSOHSFEVJHNQS-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

About 3-fluoro-7-methoxy-4-methyl-1-benzothiophene

3-fluoro-7-methoxy-4-methyl-1-benzothiophene (PubChem CID 130883958) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-fluoro-7-methoxy-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-fluoro-7-methoxy-4-methyl-1-benzothiophene
PubChem CID130883958
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name3-fluoro-7-methoxy-4-methyl-1-benzothiophene
SMILESCOc1ccc(C)c2c(F)csc12
InChIInChI=1S/C10H9FOS/c1-6-3-4-8(12-2)10-9(6)7(11)5-13-10/h3-5H,1-2H3
InChIKeyBBSOHSFEVJHNQS-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-7-methoxy-1-benzothiophen-3-amine
CID 130866136
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
3-fluoro-7-methoxy-6-methyl-1-benzothiophene
CID 130805240
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384
4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
6-methoxy-3-methyl-1-benzothiophene-7-thiol
CID 130971315
7-fluoro-3-methoxy-5-methyl-1-benzothiophene
CID 131053876
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
2-(3-fluoro-7-methyl-1-benzothiophen-4-yl)acetonitrile
CID 131053966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methoxy-4-methyl-1-benzothiophene?
The IUPAC name of 3-fluoro-7-methoxy-4-methyl-1-benzothiophene (CID 130883958) is 3-fluoro-7-methoxy-4-methyl-1-benzothiophene.
What is the SMILES notation for 3-fluoro-7-methoxy-4-methyl-1-benzothiophene?
The canonical SMILES for 3-fluoro-7-methoxy-4-methyl-1-benzothiophene is COc1ccc(C)c2c(F)csc12.
What is the InChIKey of 3-fluoro-7-methoxy-4-methyl-1-benzothiophene?
The InChIKey is BBSOHSFEVJHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-3-4-8(12-2)10-9(6)7(11)5-13-10/h3-5H,1-2H3.
What are the key properties of 3-fluoro-7-methoxy-4-methyl-1-benzothiophene?
3-fluoro-7-methoxy-4-methyl-1-benzothiophene has a molecular weight of 196.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methoxy-4-methyl-1-benzothiophene is sourced from PubChem (CID 130883958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).