1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene

C15H13FI2O2 — CID 130444426

IUPAC1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
SMILESCc1ccc(OCCOc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C15H13FI2O2/c1-10-2-4-14(12(17)8-10)19-6-7-20-15-5-3-11(16)9-13(15)18/h2-5,8-9H,6-7H2,1H3
InChIKeyMGTNDIFQPFFGNG-UHFFFAOYSA-N
MW498.07 g/mol
LogP4.80
Rot. Bonds5

About 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene

1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene (PubChem CID 130444426) has the molecular formula C15H13FI2O2 and a molecular weight of 498.07 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
PubChem CID130444426
Molecular FormulaC15H13FI2O2
Molecular Weight498.07 g/mol
Exact Mass497.90
IUPAC Name1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
SMILESCc1ccc(OCCOc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C15H13FI2O2/c1-10-2-4-14(12(17)8-10)19-6-7-20-15-5-3-11(16)9-13(15)18/h2-5,8-9H,6-7H2,1H3
InChIKeyMGTNDIFQPFFGNG-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.07
LogP ≤ 54.80
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

5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
CID 155601706
CID 155601706
1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
CID 156504900
4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
CID 129132935
3-(2-iodo-4-methylphenoxy)propyl-bis(prop-2-enyl)azanium
CID 2194997
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 175686923
4-[3-(2-iodo-4-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282969
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284242
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene?
The IUPAC name of 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene (CID 130444426) is 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene.
What is the SMILES notation for 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene?
The canonical SMILES for 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene is Cc1ccc(OCCOc2ccc(F)cc2I)c(I)c1.
What is the InChIKey of 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene?
The InChIKey is MGTNDIFQPFFGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FI2O2/c1-10-2-4-14(12(17)8-10)19-6-7-20-15-5-3-11(16)9-13(15)18/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene?
1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene has a molecular weight of 498.07 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene is sourced from PubChem (CID 130444426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).