6-methoxy-2,3-diphenyl-1-benzothiophene

C21H16OS — CID 13013583

IUPAC6-methoxy-2,3-diphenyl-1-benzothiophene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1
InChIInChI=1S/C21H16OS/c1-22-17-12-13-18-19(14-17)23-21(16-10-6-3-7-11-16)20(18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyLYIRZBLJYBTZBC-UHFFFAOYSA-N
MW316.43 g/mol
LogP6.24
Rot. Bonds3

About 6-methoxy-2,3-diphenyl-1-benzothiophene

6-methoxy-2,3-diphenyl-1-benzothiophene (PubChem CID 13013583) has the molecular formula C21H16OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-methoxy-2,3-diphenyl-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2,3-diphenyl-1-benzothiophene
PubChem CID13013583
Molecular FormulaC21H16OS
Molecular Weight316.43 g/mol
Exact Mass316.09
IUPAC Name6-methoxy-2,3-diphenyl-1-benzothiophene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1
InChIInChI=1S/C21H16OS/c1-22-17-12-13-18-19(14-17)23-21(16-10-6-3-7-11-16)20(18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyLYIRZBLJYBTZBC-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-diphenyl-1-benzothiophene?
The IUPAC name of 6-methoxy-2,3-diphenyl-1-benzothiophene (CID 13013583) is 6-methoxy-2,3-diphenyl-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2,3-diphenyl-1-benzothiophene?
The canonical SMILES for 6-methoxy-2,3-diphenyl-1-benzothiophene is COc1ccc2c(-c3ccccc3)c(-c3ccccc3)sc2c1.
What is the InChIKey of 6-methoxy-2,3-diphenyl-1-benzothiophene?
The InChIKey is LYIRZBLJYBTZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16OS/c1-22-17-12-13-18-19(14-17)23-21(16-10-6-3-7-11-16)20(18)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of 6-methoxy-2,3-diphenyl-1-benzothiophene?
6-methoxy-2,3-diphenyl-1-benzothiophene has a molecular weight of 316.43 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-diphenyl-1-benzothiophene is sourced from PubChem (CID 13013583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).