5,6-dimethoxy-4-methyl-1-benzothiophene

C11H12O2S — CID 131080478

IUPAC5,6-dimethoxy-4-methyl-1-benzothiophene
SMILESCOc1cc2sccc2c(C)c1OC
InChIInChI=1S/C11H12O2S/c1-7-8-4-5-14-10(8)6-9(12-2)11(7)13-3/h4-6H,1-3H3
InChIKeyHWAAAIUPWOIPTC-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.23
Rot. Bonds2

About 5,6-dimethoxy-4-methyl-1-benzothiophene

5,6-dimethoxy-4-methyl-1-benzothiophene (PubChem CID 131080478) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5,6-dimethoxy-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name5,6-dimethoxy-4-methyl-1-benzothiophene
PubChem CID131080478
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name5,6-dimethoxy-4-methyl-1-benzothiophene
SMILESCOc1cc2sccc2c(C)c1OC
InChIInChI=1S/C11H12O2S/c1-7-8-4-5-14-10(8)6-9(12-2)11(7)13-3/h4-6H,1-3H3
InChIKeyHWAAAIUPWOIPTC-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130839682
6-methoxy-5-methylsulfanyl-1-benzothiophene-4-thiol
CID 130971317
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
11,23-dimethoxy-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(24),2(10),3,5(9),7,11,13,15,17(21),19,22-undecaene
CID 134578727
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
5-bromo-6-iodo-4-methoxy-1-benzothiophene
CID 131059967

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-4-methyl-1-benzothiophene?
The IUPAC name of 5,6-dimethoxy-4-methyl-1-benzothiophene (CID 131080478) is 5,6-dimethoxy-4-methyl-1-benzothiophene.
What is the SMILES notation for 5,6-dimethoxy-4-methyl-1-benzothiophene?
The canonical SMILES for 5,6-dimethoxy-4-methyl-1-benzothiophene is COc1cc2sccc2c(C)c1OC.
What is the InChIKey of 5,6-dimethoxy-4-methyl-1-benzothiophene?
The InChIKey is HWAAAIUPWOIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-8-4-5-14-10(8)6-9(12-2)11(7)13-3/h4-6H,1-3H3.
What are the key properties of 5,6-dimethoxy-4-methyl-1-benzothiophene?
5,6-dimethoxy-4-methyl-1-benzothiophene has a molecular weight of 208.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-4-methyl-1-benzothiophene is sourced from PubChem (CID 131080478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).