1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene

C30H20F2O4 — CID 22338391

IUPAC1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
SMILESFc1cccc(Oc2cccc(Oc3ccc(Oc4cccc(Oc5cccc(F)c5)c4)cc3)c2)c1
InChIInChI=1S/C30H20F2O4/c31-21-5-1-7-25(17-21)35-29-11-3-9-27(19-29)33-23-13-15-24(16-14-23)34-28-10-4-12-30(20-28)36-26-8-2-6-22(32)18-26/h1-20H
InChIKeyFMYJFDCFZHOCNI-UHFFFAOYSA-N
MW482.48 g/mol
LogP9.13
Rot. Bonds8

About 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene

1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene (PubChem CID 22338391) has the molecular formula C30H20F2O4 and a molecular weight of 482.48 g/mol. Its IUPAC name is 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene.

Molecular Properties

Compound Name1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
PubChem CID22338391
Molecular FormulaC30H20F2O4
Molecular Weight482.48 g/mol
Exact Mass482.13
IUPAC Name1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
SMILESFc1cccc(Oc2cccc(Oc3ccc(Oc4cccc(Oc5cccc(F)c5)c4)cc3)c2)c1
InChIInChI=1S/C30H20F2O4/c31-21-5-1-7-25(17-21)35-29-11-3-9-27(19-29)33-23-13-15-24(16-14-23)34-28-10-4-12-30(20-28)36-26-8-2-6-22(32)18-26/h1-20H
InChIKeyFMYJFDCFZHOCNI-UHFFFAOYSA-N
XLogP9.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene?
The IUPAC name of 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene (CID 22338391) is 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene.
What is the SMILES notation for 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene?
The canonical SMILES for 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene is Fc1cccc(Oc2cccc(Oc3ccc(Oc4cccc(Oc5cccc(F)c5)c4)cc3)c2)c1.
What is the InChIKey of 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene?
The InChIKey is FMYJFDCFZHOCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2O4/c31-21-5-1-7-25(17-21)35-29-11-3-9-27(19-29)33-23-13-15-24(16-14-23)34-28-10-4-12-30(20-28)36-26-8-2-6-22(32)18-26/h1-20H.
What are the key properties of 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene?
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene has a molecular weight of 482.48 g/mol, XLogP of 9.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene is sourced from PubChem (CID 22338391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).