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

C24H16I2O3 — CID 22494556

IUPAC1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
SMILESIc1cccc(Oc2ccc(Oc3cccc(Oc4cccc(I)c4)c3)cc2)c1
InChIInChI=1S/C24H16I2O3/c25-17-4-1-6-21(14-17)27-19-10-12-20(13-11-19)28-23-8-3-9-24(16-23)29-22-7-2-5-18(26)15-22/h1-16H
InChIKeyZJPVZHPOZLDAKP-UHFFFAOYSA-N
MW606.20 g/mol
LogP8.27
Rot. Bonds6

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

1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene (PubChem CID 22494556) has the molecular formula C24H16I2O3 and a molecular weight of 606.20 g/mol. Its IUPAC name is 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
PubChem CID22494556
Molecular FormulaC24H16I2O3
Molecular Weight606.20 g/mol
Exact Mass605.92
IUPAC Name1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
SMILESIc1cccc(Oc2ccc(Oc3cccc(Oc4cccc(I)c4)c3)cc2)c1
InChIInChI=1S/C24H16I2O3/c25-17-4-1-6-21(14-17)27-19-10-12-20(13-11-19)28-23-8-3-9-24(16-23)29-22-7-2-5-18(26)15-22/h1-16H
InChIKeyZJPVZHPOZLDAKP-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-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
4-(3-iodophenoxy)benzonitrile
CID 43137980
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol
CID 114066983
1,3,5-triiodo-2-(3-iodophenoxy)benzene
CID 154130113
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
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
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene?
The IUPAC name of 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene (CID 22494556) is 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene?
The canonical SMILES for 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene is Ic1cccc(Oc2ccc(Oc3cccc(Oc4cccc(I)c4)c3)cc2)c1.
What is the InChIKey of 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene?
The InChIKey is ZJPVZHPOZLDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16I2O3/c25-17-4-1-6-21(14-17)27-19-10-12-20(13-11-19)28-23-8-3-9-24(16-23)29-22-7-2-5-18(26)15-22/h1-16H.
What are the key properties of 1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene?
1-iodo-3-[3-[4-(3-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-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene is sourced from PubChem (CID 22494556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).