4-ethyl-6-methoxy-3-methyl-1-benzothiophene

C12H14OS — CID 130985915

IUPAC4-ethyl-6-methoxy-3-methyl-1-benzothiophene
SMILESCCc1cc(OC)cc2scc(C)c12
InChIInChI=1S/C12H14OS/c1-4-9-5-10(13-3)6-11-12(9)8(2)7-14-11/h5-7H,4H2,1-3H3
InChIKeyMAVSOVBRCZXJME-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.78
Rot. Bonds2

About 4-ethyl-6-methoxy-3-methyl-1-benzothiophene

4-ethyl-6-methoxy-3-methyl-1-benzothiophene (PubChem CID 130985915) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-ethyl-6-methoxy-3-methyl-1-benzothiophene
PubChem CID130985915
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name4-ethyl-6-methoxy-3-methyl-1-benzothiophene
SMILESCCc1cc(OC)cc2scc(C)c12
InChIInChI=1S/C12H14OS/c1-4-9-5-10(13-3)6-11-12(9)8(2)7-14-11/h5-7H,4H2,1-3H3
InChIKeyMAVSOVBRCZXJME-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3-methyl-1-benzothiophene-6-carbaldehyde
CID 131123404
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-methoxy-3-methyl-1-benzothiophene-6-carboxylic acid
CID 131324180
3-iodo-6-methoxy-1-benzothiophene-4-carbaldehyde
CID 130900333
ethyl 2-(4-chloro-6-methoxy-1-benzothiophen-3-yl)acetate;ethyl 2-(6-chloro-4-methoxy-1-benzothiophen-3-yl)acetate
CID 158663223
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
CID 131097093
5,6-dimethoxy-3-methyl-1-benzothiophen-4-ol
CID 135045038
3,4,6-trimethyl-1-benzothiophene
CID 20824554
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-3-methyl-1-benzothiophene?
The IUPAC name of 4-ethyl-6-methoxy-3-methyl-1-benzothiophene (CID 130985915) is 4-ethyl-6-methoxy-3-methyl-1-benzothiophene.
What is the SMILES notation for 4-ethyl-6-methoxy-3-methyl-1-benzothiophene?
The canonical SMILES for 4-ethyl-6-methoxy-3-methyl-1-benzothiophene is CCc1cc(OC)cc2scc(C)c12.
What is the InChIKey of 4-ethyl-6-methoxy-3-methyl-1-benzothiophene?
The InChIKey is MAVSOVBRCZXJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-4-9-5-10(13-3)6-11-12(9)8(2)7-14-11/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-methoxy-3-methyl-1-benzothiophene?
4-ethyl-6-methoxy-3-methyl-1-benzothiophene has a molecular weight of 206.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-3-methyl-1-benzothiophene is sourced from PubChem (CID 130985915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).