2-(methoxymethyl)-1-benzothiophene

C10H10OS — CID 23080900

IUPAC2-(methoxymethyl)-1-benzothiophene
SMILESCOCc1cc2ccccc2s1
InChIInChI=1S/C10H10OS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6H,7H2,1H3
InChIKeyMXPUSPLPHOOHFT-UHFFFAOYSA-N
MW178.26 g/mol
LogP3.05
Rot. Bonds2

About 2-(methoxymethyl)-1-benzothiophene

2-(methoxymethyl)-1-benzothiophene (PubChem CID 23080900) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(methoxymethyl)-1-benzothiophene
PubChem CID23080900
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(methoxymethyl)-1-benzothiophene
SMILESCOCc1cc2ccccc2s1
InChIInChI=1S/C10H10OS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6H,7H2,1H3
InChIKeyMXPUSPLPHOOHFT-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-benzothiophene?
The IUPAC name of 2-(methoxymethyl)-1-benzothiophene (CID 23080900) is 2-(methoxymethyl)-1-benzothiophene.
What is the SMILES notation for 2-(methoxymethyl)-1-benzothiophene?
The canonical SMILES for 2-(methoxymethyl)-1-benzothiophene is COCc1cc2ccccc2s1.
What is the InChIKey of 2-(methoxymethyl)-1-benzothiophene?
The InChIKey is MXPUSPLPHOOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6H,7H2,1H3.
What are the key properties of 2-(methoxymethyl)-1-benzothiophene?
2-(methoxymethyl)-1-benzothiophene has a molecular weight of 178.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-benzothiophene is sourced from PubChem (CID 23080900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).