3-(4-methoxyphenyl)-1-benzothiophene

C15H12OS — CID 3358921

IUPAC3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2csc3ccccc23)cc1
InChIInChI=1S/C15H12OS/c1-16-12-8-6-11(7-9-12)14-10-17-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyHULPPSASFRRIEG-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.58
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-benzothiophene

3-(4-methoxyphenyl)-1-benzothiophene (PubChem CID 3358921) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-benzothiophene
PubChem CID3358921
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2csc3ccccc23)cc1
InChIInChI=1S/C15H12OS/c1-16-12-8-6-11(7-9-12)14-10-17-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyHULPPSASFRRIEG-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 3-(4-methoxyphenyl)-1-benzothiophene (CID 3358921) is 3-(4-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 3-(4-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2csc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-benzothiophene?
The InChIKey is HULPPSASFRRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-16-12-8-6-11(7-9-12)14-10-17-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-benzothiophene?
3-(4-methoxyphenyl)-1-benzothiophene has a molecular weight of 240.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 3358921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).