4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene

C14H12I2O2 — CID 86019037

IUPAC4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cc(I)ccc1-c1ccc(I)cc1OC
InChIInChI=1S/C14H12I2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,1-2H3
InChIKeyNZNAEJLDJBQOFB-UHFFFAOYSA-N
MW466.06 g/mol
LogP4.58
Rot. Bonds3

About 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene

4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene (PubChem CID 86019037) has the molecular formula C14H12I2O2 and a molecular weight of 466.06 g/mol. Its IUPAC name is 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene.

Molecular Properties

Compound Name4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
PubChem CID86019037
Molecular FormulaC14H12I2O2
Molecular Weight466.06 g/mol
Exact Mass465.89
IUPAC Name4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cc(I)ccc1-c1ccc(I)cc1OC
InChIInChI=1S/C14H12I2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,1-2H3
InChIKeyNZNAEJLDJBQOFB-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.06
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene 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

1,4-diiodo-2-methoxybenzene
CID 23154690
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
5-iodo-2-methoxy-N-methylaniline
CID 82267247
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
2-(4-iodo-2-methoxyphenyl)acetonitrile
CID 91883503
2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
CID 135271643
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
(4-iodo-2-methoxyphenyl) propanoate
CID 129282160

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene?
The IUPAC name of 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene (CID 86019037) is 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene.
What is the SMILES notation for 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene?
The canonical SMILES for 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene is COc1cc(I)ccc1-c1ccc(I)cc1OC.
What is the InChIKey of 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene?
The InChIKey is NZNAEJLDJBQOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,1-2H3.
What are the key properties of 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene?
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene has a molecular weight of 466.06 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene is sourced from PubChem (CID 86019037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).