2,3-dimethoxy-3-methyl-2H-1-benzothiophene

C11H14O2S — CID 15731489

IUPAC2,3-dimethoxy-3-methyl-2H-1-benzothiophene
SMILESCOC1Sc2ccccc2C1(C)OC
InChIInChI=1S/C11H14O2S/c1-11(13-3)8-6-4-5-7-9(8)14-10(11)12-2/h4-7,10H,1-3H3
InChIKeyOEUIXOYGNFBGOV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.63
Rot. Bonds2

About 2,3-dimethoxy-3-methyl-2H-1-benzothiophene

2,3-dimethoxy-3-methyl-2H-1-benzothiophene (PubChem CID 15731489) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2,3-dimethoxy-3-methyl-2H-1-benzothiophene.

Molecular Properties

Compound Name2,3-dimethoxy-3-methyl-2H-1-benzothiophene
PubChem CID15731489
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2,3-dimethoxy-3-methyl-2H-1-benzothiophene
SMILESCOC1Sc2ccccc2C1(C)OC
InChIInChI=1S/C11H14O2S/c1-11(13-3)8-6-4-5-7-9(8)14-10(11)12-2/h4-7,10H,1-3H3
InChIKeyOEUIXOYGNFBGOV-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dibromo-3-methyl-2H-1-benzothiophene
CID 163861029
2-(bromomethyl)-4,4-dimethyl-2,3-dihydrothiochromene
CID 86757174
(3R,4S)-3,4-dimethoxyspiro[thietane-2,9'-thioxanthene]
CID 71390137
(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol
CID 174183295
(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol
CID 174183293
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
3,3-dimethyl-1,2-benzothiazol-2-amine
CID 166904749
ethane;9-methoxy-9-methylfluorene
CID 91285741
(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
CID 177412083
methyl 4,4-dimethyl-2,3-dihydrothiochromene-3-carboxylate
CID 138563831
3-bromo-3-methyl-2H-1-benzothiophene
CID 142211498
(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
CID 10591514

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-3-methyl-2H-1-benzothiophene?
The IUPAC name of 2,3-dimethoxy-3-methyl-2H-1-benzothiophene (CID 15731489) is 2,3-dimethoxy-3-methyl-2H-1-benzothiophene.
What is the SMILES notation for 2,3-dimethoxy-3-methyl-2H-1-benzothiophene?
The canonical SMILES for 2,3-dimethoxy-3-methyl-2H-1-benzothiophene is COC1Sc2ccccc2C1(C)OC.
What is the InChIKey of 2,3-dimethoxy-3-methyl-2H-1-benzothiophene?
The InChIKey is OEUIXOYGNFBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-11(13-3)8-6-4-5-7-9(8)14-10(11)12-2/h4-7,10H,1-3H3.
What are the key properties of 2,3-dimethoxy-3-methyl-2H-1-benzothiophene?
2,3-dimethoxy-3-methyl-2H-1-benzothiophene has a molecular weight of 210.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-3-methyl-2H-1-benzothiophene is sourced from PubChem (CID 15731489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).