1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene

C24H16I2O3 — CID 22494478

IUPAC1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
SMILESIc1ccc(Oc2ccc(Oc3cccc(Oc4ccc(I)cc4)c3)cc2)cc1
InChIInChI=1S/C24H16I2O3/c25-17-4-8-19(9-5-17)27-21-12-14-22(15-13-21)29-24-3-1-2-23(16-24)28-20-10-6-18(26)7-11-20/h1-16H
InChIKeyBWCIDBSLGDHMTR-UHFFFAOYSA-N
MW606.20 g/mol
LogP8.27
Rot. Bonds6

About 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene

1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene (PubChem CID 22494478) has the molecular formula C24H16I2O3 and a molecular weight of 606.20 g/mol. Its IUPAC name is 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
PubChem CID22494478
Molecular FormulaC24H16I2O3
Molecular Weight606.20 g/mol
Exact Mass605.92
IUPAC Name1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
SMILESIc1ccc(Oc2ccc(Oc3cccc(Oc4ccc(I)cc4)c3)cc2)cc1
InChIInChI=1S/C24H16I2O3/c25-17-4-8-19(9-5-17)27-21-12-14-22(15-13-21)29-24-3-1-2-23(16-24)28-20-10-6-18(26)7-11-20/h1-16H
InChIKeyBWCIDBSLGDHMTR-UHFFFAOYSA-N
XLogP8.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.20
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-(4-iodophenoxy)phenol
CID 12940617
1,3-bis(4-ethylphenoxy)benzene
CID 145452264

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene?
The IUPAC name of 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene (CID 22494478) is 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene?
The canonical SMILES for 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene is Ic1ccc(Oc2ccc(Oc3cccc(Oc4ccc(I)cc4)c3)cc2)cc1.
What is the InChIKey of 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene?
The InChIKey is BWCIDBSLGDHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16I2O3/c25-17-4-8-19(9-5-17)27-21-12-14-22(15-13-21)29-24-3-1-2-23(16-24)28-20-10-6-18(26)7-11-20/h1-16H.
What are the key properties of 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene?
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene has a molecular weight of 606.20 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene is sourced from PubChem (CID 22494478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).