1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene

C24H16BrFO2 — CID 54104946

IUPAC1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene
SMILESFc1ccccc1Oc1ccccc1-c1cccc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C24H16BrFO2/c25-18-8-6-10-20(16-18)27-19-9-5-7-17(15-19)21-11-1-3-13-23(21)28-24-14-4-2-12-22(24)26/h1-16H
InChIKeyISVVVIISGRHNIU-UHFFFAOYSA-N
MW435.29 g/mol
LogP7.84
Rot. Bonds5

About 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene

1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene (PubChem CID 54104946) has the molecular formula C24H16BrFO2 and a molecular weight of 435.29 g/mol. Its IUPAC name is 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene
PubChem CID54104946
Molecular FormulaC24H16BrFO2
Molecular Weight435.29 g/mol
Exact Mass434.03
IUPAC Name1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene
SMILESFc1ccccc1Oc1ccccc1-c1cccc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C24H16BrFO2/c25-18-8-6-10-20(16-18)27-19-9-5-7-17(15-19)21-11-1-3-13-23(21)28-24-14-4-2-12-22(24)26/h1-16H
InChIKeyISVVVIISGRHNIU-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.29
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene?
The IUPAC name of 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene (CID 54104946) is 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene.
What is the SMILES notation for 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene?
The canonical SMILES for 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene is Fc1ccccc1Oc1ccccc1-c1cccc(Oc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene?
The InChIKey is ISVVVIISGRHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrFO2/c25-18-8-6-10-20(16-18)27-19-9-5-7-17(15-19)21-11-1-3-13-23(21)28-24-14-4-2-12-22(24)26/h1-16H.
What are the key properties of 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene?
1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene has a molecular weight of 435.29 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-[2-(2-fluorophenoxy)phenyl]phenoxy]benzene is sourced from PubChem (CID 54104946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).