4-fluoro-5-methoxy-7-methyl-1-benzothiophene

C10H9FOS — CID 130925600

IUPAC4-fluoro-5-methoxy-7-methyl-1-benzothiophene
SMILESCOc1cc(C)c2sccc2c1F
InChIInChI=1S/C10H9FOS/c1-6-5-8(12-2)9(11)7-3-4-13-10(6)7/h3-5H,1-2H3
InChIKeyOMIANUGJFVWXJV-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

About 4-fluoro-5-methoxy-7-methyl-1-benzothiophene

4-fluoro-5-methoxy-7-methyl-1-benzothiophene (PubChem CID 130925600) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-fluoro-5-methoxy-7-methyl-1-benzothiophene
PubChem CID130925600
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name4-fluoro-5-methoxy-7-methyl-1-benzothiophene
SMILESCOc1cc(C)c2sccc2c1F
InChIInChI=1S/C10H9FOS/c1-6-5-8(12-2)9(11)7-3-4-13-10(6)7/h3-5H,1-2H3
InChIKeyOMIANUGJFVWXJV-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-5-methoxy-1-benzothiophen-7-ol
CID 131196385
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,7-dimethoxy-1-benzothiophene
CID 11095506
4,5,7-trimethyl-1-benzothiophene
CID 59646225
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-7-methyl-1-benzothiophene?
The IUPAC name of 4-fluoro-5-methoxy-7-methyl-1-benzothiophene (CID 130925600) is 4-fluoro-5-methoxy-7-methyl-1-benzothiophene.
What is the SMILES notation for 4-fluoro-5-methoxy-7-methyl-1-benzothiophene?
The canonical SMILES for 4-fluoro-5-methoxy-7-methyl-1-benzothiophene is COc1cc(C)c2sccc2c1F.
What is the InChIKey of 4-fluoro-5-methoxy-7-methyl-1-benzothiophene?
The InChIKey is OMIANUGJFVWXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-5-8(12-2)9(11)7-3-4-13-10(6)7/h3-5H,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-7-methyl-1-benzothiophene?
4-fluoro-5-methoxy-7-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 4-fluoro-5-methoxy-7-methyl-1-benzothiophene is sourced from PubChem (CID 130925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).