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

C16H14O2S — CID 15422647

IUPAC4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2csc3cccc(OC)c23)cc1
InChIInChI=1S/C16H14O2S/c1-17-12-8-6-11(7-9-12)13-10-19-15-5-3-4-14(18-2)16(13)15/h3-10H,1-2H3
InChIKeyIXIILYWLVYHOHU-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.59
Rot. Bonds3

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

4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene (PubChem CID 15422647) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
PubChem CID15422647
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2csc3cccc(OC)c23)cc1
InChIInChI=1S/C16H14O2S/c1-17-12-8-6-11(7-9-12)13-10-19-15-5-3-4-14(18-2)16(13)15/h3-10H,1-2H3
InChIKeyIXIILYWLVYHOHU-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene (CID 15422647) is 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2csc3cccc(OC)c23)cc1.
What is the InChIKey of 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene?
The InChIKey is IXIILYWLVYHOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-17-12-8-6-11(7-9-12)13-10-19-15-5-3-4-14(18-2)16(13)15/h3-10H,1-2H3.
What are the key properties of 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene?
4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene has a molecular weight of 270.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 15422647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).