3,4-dimethoxy-2,5-dimethylthiophene

C8H12O2S — CID 15640918

IUPAC3,4-dimethoxy-2,5-dimethylthiophene
SMILESCOc1c(C)sc(C)c1OC
InChIInChI=1S/C8H12O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h1-4H3
InChIKeyWEOCBJMQLLMFGY-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.38
Rot. Bonds2

About 3,4-dimethoxy-2,5-dimethylthiophene

3,4-dimethoxy-2,5-dimethylthiophene (PubChem CID 15640918) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3,4-dimethoxy-2,5-dimethylthiophene.

Molecular Properties

Compound Name3,4-dimethoxy-2,5-dimethylthiophene
PubChem CID15640918
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3,4-dimethoxy-2,5-dimethylthiophene
SMILESCOc1c(C)sc(C)c1OC
InChIInChI=1S/C8H12O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h1-4H3
InChIKeyWEOCBJMQLLMFGY-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
3,4-Dimethoxy-2-methylthiophene
CID 19760688
(3,4-Dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
CID 59664288
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3,4-Dimethoxy-2-(trifluoromethyl)thiophene
CID 91394201
3,3-Difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 130182524
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
5,7-Diethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346348
5,7-Diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346349
5,7-Diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346350

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2,5-dimethylthiophene?
The IUPAC name of 3,4-dimethoxy-2,5-dimethylthiophene (CID 15640918) is 3,4-dimethoxy-2,5-dimethylthiophene.
What is the SMILES notation for 3,4-dimethoxy-2,5-dimethylthiophene?
The canonical SMILES for 3,4-dimethoxy-2,5-dimethylthiophene is COc1c(C)sc(C)c1OC.
What is the InChIKey of 3,4-dimethoxy-2,5-dimethylthiophene?
The InChIKey is WEOCBJMQLLMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-5-7(9-3)8(10-4)6(2)11-5/h1-4H3.
What are the key properties of 3,4-dimethoxy-2,5-dimethylthiophene?
3,4-dimethoxy-2,5-dimethylthiophene has a molecular weight of 172.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2,5-dimethylthiophene is sourced from PubChem (CID 15640918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).