3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene

C₂₇H₁₉FO₂S — CID 151364895

About 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene

3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene (PubChem CID 151364895) has the molecular formula C₂₇H₁₉FO₂S and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene.

Molecular Properties

• Compound Name: 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene
• PubChem CID: 151364895
• Molecular Formula: C₂₇H₁₉FO₂S
• Molecular Weight: 426.51 g/mol
• Exact Mass: 426.11
• IUPAC Name: 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene
• SMILES: Fc1cccc(Oc2c(OCc3ccc(-c4ccccc4)cc3)sc3ccccc23)c1
• InChI: InChI=1S/C27H19FO2S/c28-22-9-6-10-23(17-22)30-26-24-11-4-5-12-25(24)31-27(26)29-18-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-17H,18H2
• InChIKey: OPFLGMYXDUEEIO-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 18.46 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.51
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene?

The IUPAC name of 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene (CID 151364895) is 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene.

What is the SMILES notation for 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene?

The canonical SMILES for 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene is Fc1cccc(Oc2c(OCc3ccc(-c4ccccc4)cc3)sc3ccccc23)c1.

What is the InChIKey of 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene?

The InChIKey is OPFLGMYXDUEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FO2S/c28-22-9-6-10-23(17-22)30-26-24-11-4-5-12-25(24)31-27(26)29-18-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-17H,18H2.

What are the key properties of 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene?

3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene has a molecular weight of 426.51 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene is sourced from PubChem (CID 151364895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151364895 — identifiers, structure, computed properties (public domain)

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