1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene

C24H32I2O2 — CID 101169604

IUPAC1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
SMILESIc1cccc(COCCCCCCCCCCOCc2cccc(I)c2)c1
InChIInChI=1S/C24H32I2O2/c25-23-13-9-11-21(17-23)19-27-15-7-5-3-1-2-4-6-8-16-28-20-22-12-10-14-24(26)18-22/h9-14,17-18H,1-8,15-16,19-20H2
InChIKeyUHBJIWHYZGAFGS-UHFFFAOYSA-N
MW606.33 g/mol
LogP7.75
Rot. Bonds15

About 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene

1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene (PubChem CID 101169604) has the molecular formula C24H32I2O2 and a molecular weight of 606.33 g/mol. Its IUPAC name is 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene.

Molecular Properties

Compound Name1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
PubChem CID101169604
Molecular FormulaC24H32I2O2
Molecular Weight606.33 g/mol
Exact Mass606.05
IUPAC Name1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
SMILESIc1cccc(COCCCCCCCCCCOCc2cccc(I)c2)c1
InChIInChI=1S/C24H32I2O2/c25-23-13-9-11-21(17-23)19-27-15-7-5-3-1-2-4-6-8-16-28-20-22-12-10-14-24(26)18-22/h9-14,17-18H,1-8,15-16,19-20H2
InChIKeyUHBJIWHYZGAFGS-UHFFFAOYSA-N
XLogP7.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.33
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
CID 101115926
(3-iodophenyl)methyl hypoiodite
CID 167240125
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-bromo-3-(5-bromopentoxymethyl)benzene
CID 82828091
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
1-(4-chlorobutoxymethyl)-3-[3-(4-chlorobutoxymethyl)phenyl]benzene
CID 139954468
4-[(1R)-1-hydroxy-2-[6-[2-[(3-iodophenyl)methoxy]ethoxy]hexylamino]ethyl]-2-(hydroxymethyl)phenol
CID 66845001
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene?
The IUPAC name of 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene (CID 101169604) is 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene.
What is the SMILES notation for 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene?
The canonical SMILES for 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene is Ic1cccc(COCCCCCCCCCCOCc2cccc(I)c2)c1.
What is the InChIKey of 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene?
The InChIKey is UHBJIWHYZGAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32I2O2/c25-23-13-9-11-21(17-23)19-27-15-7-5-3-1-2-4-6-8-16-28-20-22-12-10-14-24(26)18-22/h9-14,17-18H,1-8,15-16,19-20H2.
What are the key properties of 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene?
1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene has a molecular weight of 606.33 g/mol, XLogP of 7.75, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene is sourced from PubChem (CID 101169604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).