1,2-bis[(2-iodophenoxy)methyl]benzene

C20H16I2O2 — CID 154951075

IUPAC1,2-bis[(2-iodophenoxy)methyl]benzene
SMILESIc1ccccc1OCc1ccccc1COc1ccccc1I
InChIInChI=1S/C20H16I2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14H2
InChIKeyGUGSMUIACROPOB-UHFFFAOYSA-N
MW542.15 g/mol
LogP6.05
Rot. Bonds6

About 1,2-bis[(2-iodophenoxy)methyl]benzene

1,2-bis[(2-iodophenoxy)methyl]benzene (PubChem CID 154951075) has the molecular formula C20H16I2O2 and a molecular weight of 542.15 g/mol. Its IUPAC name is 1,2-bis[(2-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-bis[(2-iodophenoxy)methyl]benzene
PubChem CID154951075
Molecular FormulaC20H16I2O2
Molecular Weight542.15 g/mol
Exact Mass541.92
IUPAC Name1,2-bis[(2-iodophenoxy)methyl]benzene
SMILESIc1ccccc1OCc1ccccc1COc1ccccc1I
InChIInChI=1S/C20H16I2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14H2
InChIKeyGUGSMUIACROPOB-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.15
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
1-ethynyl-2-[(2-iodophenoxy)methyl]benzene
CID 24853925
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2-[(2-iodophenoxy)methyl]-1H-imidazole
CID 54027628
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
CID 58564425
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-iodophenoxy)methyl]benzene?
The IUPAC name of 1,2-bis[(2-iodophenoxy)methyl]benzene (CID 154951075) is 1,2-bis[(2-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1,2-bis[(2-iodophenoxy)methyl]benzene?
The canonical SMILES for 1,2-bis[(2-iodophenoxy)methyl]benzene is Ic1ccccc1OCc1ccccc1COc1ccccc1I.
What is the InChIKey of 1,2-bis[(2-iodophenoxy)methyl]benzene?
The InChIKey is GUGSMUIACROPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16I2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14H2.
What are the key properties of 1,2-bis[(2-iodophenoxy)methyl]benzene?
1,2-bis[(2-iodophenoxy)methyl]benzene has a molecular weight of 542.15 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-iodophenoxy)methyl]benzene is sourced from PubChem (CID 154951075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).