2-(ethenoxymethyl)-1-benzothiophene

C11H10OS — CID 89458647

IUPAC2-(ethenoxymethyl)-1-benzothiophene
SMILESC=COCc1cc2ccccc2s1
InChIInChI=1S/C11H10OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h2-7H,1,8H2
InChIKeyLGQJHZSXIVHURS-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.56
Rot. Bonds3

About 2-(ethenoxymethyl)-1-benzothiophene

2-(ethenoxymethyl)-1-benzothiophene (PubChem CID 89458647) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1-benzothiophene
PubChem CID89458647
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name2-(ethenoxymethyl)-1-benzothiophene
SMILESC=COCc1cc2ccccc2s1
InChIInChI=1S/C11H10OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h2-7H,1,8H2
InChIKeyLGQJHZSXIVHURS-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1-benzothiophene?
The IUPAC name of 2-(ethenoxymethyl)-1-benzothiophene (CID 89458647) is 2-(ethenoxymethyl)-1-benzothiophene.
What is the SMILES notation for 2-(ethenoxymethyl)-1-benzothiophene?
The canonical SMILES for 2-(ethenoxymethyl)-1-benzothiophene is C=COCc1cc2ccccc2s1.
What is the InChIKey of 2-(ethenoxymethyl)-1-benzothiophene?
The InChIKey is LGQJHZSXIVHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h2-7H,1,8H2.
What are the key properties of 2-(ethenoxymethyl)-1-benzothiophene?
2-(ethenoxymethyl)-1-benzothiophene has a molecular weight of 190.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1-benzothiophene is sourced from PubChem (CID 89458647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).