2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene

C14H12I2O2 — CID 14778921

IUPAC2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C14H12I2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3
InChIKeyGVSKIUHBCCMCSF-UHFFFAOYSA-N
MW466.06 g/mol
LogP4.58
Rot. Bonds3

About 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene

2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene (PubChem CID 14778921) has the molecular formula C14H12I2O2 and a molecular weight of 466.06 g/mol. Its IUPAC name is 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
PubChem CID14778921
Molecular FormulaC14H12I2O2
Molecular Weight466.06 g/mol
Exact Mass465.89
IUPAC Name2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(OC)c(I)c2)cc1I
InChIInChI=1S/C14H12I2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3
InChIKeyGVSKIUHBCCMCSF-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene?
The IUPAC name of 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene (CID 14778921) is 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene.
What is the SMILES notation for 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene?
The canonical SMILES for 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene is COc1ccc(-c2ccc(OC)c(I)c2)cc1I.
What is the InChIKey of 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene?
The InChIKey is GVSKIUHBCCMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3.
What are the key properties of 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene?
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-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 2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene is sourced from PubChem (CID 14778921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).