3-ethoxy-2,4-dimethyl-1-benzothiophene

C12H14OS — CID 131169695

IUPAC3-ethoxy-2,4-dimethyl-1-benzothiophene
SMILESCCOc1c(C)sc2cccc(C)c12
InChIInChI=1S/C12H14OS/c1-4-13-12-9(3)14-10-7-5-6-8(2)11(10)12/h5-7H,4H2,1-3H3
InChIKeyNOEIZQYPESYQMA-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.92
Rot. Bonds2

About 3-ethoxy-2,4-dimethyl-1-benzothiophene

3-ethoxy-2,4-dimethyl-1-benzothiophene (PubChem CID 131169695) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-ethoxy-2,4-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name3-ethoxy-2,4-dimethyl-1-benzothiophene
PubChem CID131169695
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name3-ethoxy-2,4-dimethyl-1-benzothiophene
SMILESCCOc1c(C)sc2cccc(C)c12
InChIInChI=1S/C12H14OS/c1-4-13-12-9(3)14-10-7-5-6-8(2)11(10)12/h5-7H,4H2,1-3H3
InChIKeyNOEIZQYPESYQMA-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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4-dimethyl-1-benzothiophene?
The IUPAC name of 3-ethoxy-2,4-dimethyl-1-benzothiophene (CID 131169695) is 3-ethoxy-2,4-dimethyl-1-benzothiophene.
What is the SMILES notation for 3-ethoxy-2,4-dimethyl-1-benzothiophene?
The canonical SMILES for 3-ethoxy-2,4-dimethyl-1-benzothiophene is CCOc1c(C)sc2cccc(C)c12.
What is the InChIKey of 3-ethoxy-2,4-dimethyl-1-benzothiophene?
The InChIKey is NOEIZQYPESYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-4-13-12-9(3)14-10-7-5-6-8(2)11(10)12/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethoxy-2,4-dimethyl-1-benzothiophene?
3-ethoxy-2,4-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 3-ethoxy-2,4-dimethyl-1-benzothiophene is sourced from PubChem (CID 131169695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).