1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene

C14H13IO2 — CID 118707548

IUPAC1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc([125I])cc2)cc1
InChIInChI=1S/C14H13IO2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3/i15-2
InChIKeyPJXPICJOHCVKEN-VLPIPSKASA-N
MW338.16 g/mol
LogP3.88
Rot. Bonds4

About 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene

1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene (PubChem CID 118707548) has the molecular formula C14H13IO2 and a molecular weight of 338.16 g/mol. Its IUPAC name is 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene
PubChem CID118707548
Molecular FormulaC14H13IO2
Molecular Weight338.16 g/mol
Exact Mass338.00
IUPAC Name1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc([125I])cc2)cc1
InChIInChI=1S/C14H13IO2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3/i15-2
InChIKeyPJXPICJOHCVKEN-VLPIPSKASA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.88
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 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene?
The IUPAC name of 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene (CID 118707548) is 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene is COc1ccc(OCc2ccc([125I])cc2)cc1.
What is the InChIKey of 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene?
The InChIKey is PJXPICJOHCVKEN-VLPIPSKASA-N. The full InChI is InChI=1S/C14H13IO2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3/i15-2.
What are the key properties of 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene?
1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene has a molecular weight of 338.16 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(125I)iodo-4-[(4-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 118707548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).