1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene

C36H24F2O5 — CID 22338576

IUPAC1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
SMILESFc1ccccc1Oc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(Oc5ccccc5F)c4)cc3)cc2)c1
InChIInChI=1S/C36H24F2O5/c37-33-11-1-3-13-35(33)42-31-9-5-7-29(23-31)40-27-19-15-25(16-20-27)39-26-17-21-28(22-18-26)41-30-8-6-10-32(24-30)43-36-14-4-2-12-34(36)38/h1-24H
InChIKeyBXZZLABLJDMYQJ-UHFFFAOYSA-N
MW574.58 g/mol
LogP10.93
Rot. Bonds10

About 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene

1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene (PubChem CID 22338576) has the molecular formula C36H24F2O5 and a molecular weight of 574.58 g/mol. Its IUPAC name is 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
PubChem CID22338576
Molecular FormulaC36H24F2O5
Molecular Weight574.58 g/mol
Exact Mass574.16
IUPAC Name1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
SMILESFc1ccccc1Oc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(Oc5ccccc5F)c4)cc3)cc2)c1
InChIInChI=1S/C36H24F2O5/c37-33-11-1-3-13-35(33)42-31-9-5-7-29(23-31)40-27-19-15-25(16-20-27)39-26-17-21-28(22-18-26)41-30-8-6-10-32(24-30)43-36-14-4-2-12-34(36)38/h1-24H
InChIKeyBXZZLABLJDMYQJ-UHFFFAOYSA-N
XLogP10.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-methyl-3-(3-phenoxyphenoxy)benzene
CID 141038647
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene?
The IUPAC name of 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene (CID 22338576) is 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene?
The canonical SMILES for 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene is Fc1ccccc1Oc1cccc(Oc2ccc(Oc3ccc(Oc4cccc(Oc5ccccc5F)c4)cc3)cc2)c1.
What is the InChIKey of 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene?
The InChIKey is BXZZLABLJDMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F2O5/c37-33-11-1-3-13-35(33)42-31-9-5-7-29(23-31)40-27-19-15-25(16-20-27)39-26-17-21-28(22-18-26)41-30-8-6-10-32(24-30)43-36-14-4-2-12-34(36)38/h1-24H.
What are the key properties of 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene?
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene has a molecular weight of 574.58 g/mol, XLogP of 10.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene is sourced from PubChem (CID 22338576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).