5-ethoxy-4,6-dimethyl-1-benzothiophene

C12H14OS — CID 130955667

IUPAC5-ethoxy-4,6-dimethyl-1-benzothiophene
SMILESCCOc1c(C)cc2sccc2c1C
InChIInChI=1S/C12H14OS/c1-4-13-12-8(2)7-11-10(9(12)3)5-6-14-11/h5-7H,4H2,1-3H3
InChIKeyPFVQNVULQLLQAK-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.92
Rot. Bonds2

About 5-ethoxy-4,6-dimethyl-1-benzothiophene

5-ethoxy-4,6-dimethyl-1-benzothiophene (PubChem CID 130955667) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-ethoxy-4,6-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name5-ethoxy-4,6-dimethyl-1-benzothiophene
PubChem CID130955667
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name5-ethoxy-4,6-dimethyl-1-benzothiophene
SMILESCCOc1c(C)cc2sccc2c1C
InChIInChI=1S/C12H14OS/c1-4-13-12-8(2)7-11-10(9(12)3)5-6-14-11/h5-7H,4H2,1-3H3
InChIKeyPFVQNVULQLLQAK-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-ethoxy-6-fluoro-1-benzothiophene
CID 130898443
CID 174707577
CID 174707577
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
7-ethoxy-6-iodo-5-methyl-1-benzothiophene
CID 131002181
5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
1-bromo-4-ethoxy-2,3,5-trimethylbenzene
CID 143804486
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-fluoro-6-iodo-4-methyl-1-benzothiophene
CID 131123102
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
7-ethoxy-6-methyl-1-benzothiophen-5-amine
CID 130898368
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4,6-dimethyl-1-benzothiophene?
The IUPAC name of 5-ethoxy-4,6-dimethyl-1-benzothiophene (CID 130955667) is 5-ethoxy-4,6-dimethyl-1-benzothiophene.
What is the SMILES notation for 5-ethoxy-4,6-dimethyl-1-benzothiophene?
The canonical SMILES for 5-ethoxy-4,6-dimethyl-1-benzothiophene is CCOc1c(C)cc2sccc2c1C.
What is the InChIKey of 5-ethoxy-4,6-dimethyl-1-benzothiophene?
The InChIKey is PFVQNVULQLLQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-4-13-12-8(2)7-11-10(9(12)3)5-6-14-11/h5-7H,4H2,1-3H3.
What are the key properties of 5-ethoxy-4,6-dimethyl-1-benzothiophene?
5-ethoxy-4,6-dimethyl-1-benzothiophene has a molecular weight of 206.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,6-dimethyl-1-benzothiophene is sourced from PubChem (CID 130955667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).