triiodomethoxybenzene

C7H5I3O — CID 70252618

IUPACtriiodomethoxybenzene
SMILESIC(I)(I)Oc1ccccc1
InChIInChI=1S/C7H5I3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyPZAPXISYSZMIHH-UHFFFAOYSA-N
MW485.83 g/mol
LogP3.98
Rot. Bonds2

About triiodomethoxybenzene

triiodomethoxybenzene (PubChem CID 70252618) has the molecular formula C7H5I3O and a molecular weight of 485.83 g/mol. Its IUPAC name is triiodomethoxybenzene.

Molecular Properties

Compound Nametriiodomethoxybenzene
PubChem CID70252618
Molecular FormulaC7H5I3O
Molecular Weight485.83 g/mol
Exact Mass485.75
IUPAC Nametriiodomethoxybenzene
SMILESIC(I)(I)Oc1ccccc1
InChIInChI=1S/C7H5I3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyPZAPXISYSZMIHH-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodopropan-2-yloxybenzene
CID 147876431
trifluoromethoxybenzene
CID 157402708
triphenoxymethylphosphane
CID 18472089
trifluoromethoxybenzene fluoride
CID 158305019
(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
CID 10164874
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
2-ethenyl-2-phenoxypropanedinitrile
CID 91584701
1-chloro-1-phenoxyethanol
CID 66681023

Frequently Asked Questions

What is the IUPAC name of triiodomethoxybenzene?
The IUPAC name of triiodomethoxybenzene (CID 70252618) is triiodomethoxybenzene.
What is the SMILES notation for triiodomethoxybenzene?
The canonical SMILES for triiodomethoxybenzene is IC(I)(I)Oc1ccccc1.
What is the InChIKey of triiodomethoxybenzene?
The InChIKey is PZAPXISYSZMIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of triiodomethoxybenzene?
triiodomethoxybenzene has a molecular weight of 485.83 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triiodomethoxybenzene is sourced from PubChem (CID 70252618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).