6-(phenoxymethyl)-1-benzothiophene

C15H12OS — CID 173192400

IUPAC6-(phenoxymethyl)-1-benzothiophene
SMILESc1ccc(OCc2ccc3ccsc3c2)cc1
InChIInChI=1S/C15H12OS/c1-2-4-14(5-3-1)16-11-12-6-7-13-8-9-17-15(13)10-12/h1-10H,11H2
InChIKeyNDJQNVFWSTUPML-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.48
Rot. Bonds3

About 6-(phenoxymethyl)-1-benzothiophene

6-(phenoxymethyl)-1-benzothiophene (PubChem CID 173192400) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-(phenoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-(phenoxymethyl)-1-benzothiophene
PubChem CID173192400
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name6-(phenoxymethyl)-1-benzothiophene
SMILESc1ccc(OCc2ccc3ccsc3c2)cc1
InChIInChI=1S/C15H12OS/c1-2-4-14(5-3-1)16-11-12-6-7-13-8-9-17-15(13)10-12/h1-10H,11H2
InChIKeyNDJQNVFWSTUPML-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-1-benzothiophene?
The IUPAC name of 6-(phenoxymethyl)-1-benzothiophene (CID 173192400) is 6-(phenoxymethyl)-1-benzothiophene.
What is the SMILES notation for 6-(phenoxymethyl)-1-benzothiophene?
The canonical SMILES for 6-(phenoxymethyl)-1-benzothiophene is c1ccc(OCc2ccc3ccsc3c2)cc1.
What is the InChIKey of 6-(phenoxymethyl)-1-benzothiophene?
The InChIKey is NDJQNVFWSTUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-2-4-14(5-3-1)16-11-12-6-7-13-8-9-17-15(13)10-12/h1-10H,11H2.
What are the key properties of 6-(phenoxymethyl)-1-benzothiophene?
6-(phenoxymethyl)-1-benzothiophene has a molecular weight of 240.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-1-benzothiophene is sourced from PubChem (CID 173192400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).