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

C27H19FO2S — CID 151364895

IUPAC3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene
SMILESFc1cccc(Oc2c(OCc3ccc(-c4ccccc4)cc3)sc3ccccc23)c1
InChIInChI=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
InChIKeyOPFLGMYXDUEEIO-UHFFFAOYSA-N
MW426.51 g/mol
LogP8.08
Rot. Bonds6

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 Name3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene
PubChem CID151364895
Molecular FormulaC27H19FO2S
Molecular Weight426.51 g/mol
Exact Mass426.11
IUPAC Name3-(3-fluorophenoxy)-2-[(4-phenylphenyl)methoxy]-1-benzothiophene
SMILESFc1cccc(Oc2c(OCc3ccc(-c4ccccc4)cc3)sc3ccccc23)c1
InChIInChI=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
InChIKeyOPFLGMYXDUEEIO-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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).