1,2,3,4-tetraiodo-5-methoxybenzene

C7H4I4O — CID 163208160

IUPAC1,2,3,4-tetraiodo-5-methoxybenzene
SMILESCOc1cc(I)c(I)c(I)c1I
InChIInChI=1S/C7H4I4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3
InChIKeyOURVRJQWQADMLO-UHFFFAOYSA-N
MW611.72 g/mol
LogP4.11
Rot. Bonds1

About 1,2,3,4-tetraiodo-5-methoxybenzene

1,2,3,4-tetraiodo-5-methoxybenzene (PubChem CID 163208160) has the molecular formula C7H4I4O and a molecular weight of 611.72 g/mol. Its IUPAC name is 1,2,3,4-tetraiodo-5-methoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetraiodo-5-methoxybenzene
PubChem CID163208160
Molecular FormulaC7H4I4O
Molecular Weight611.72 g/mol
Exact Mass611.64
IUPAC Name1,2,3,4-tetraiodo-5-methoxybenzene
SMILESCOc1cc(I)c(I)c(I)c1I
InChIInChI=1S/C7H4I4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3
InChIKeyOURVRJQWQADMLO-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.72
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
4-iodo-2,5-dimethoxyphenol
CID 10850321
1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
CID 3257155
2,4-diiodo-6-methoxyaniline
CID 118990977
5-ethynyl-2-iodo-1,3-dimethoxybenzene
CID 134860651
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
4-bromo-3-iodo-5-methoxypyridine
CID 133063942
5-fluoro-2-iodo-1-methoxy-3-methylbenzene
CID 170171425
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraiodo-5-methoxybenzene?
The IUPAC name of 1,2,3,4-tetraiodo-5-methoxybenzene (CID 163208160) is 1,2,3,4-tetraiodo-5-methoxybenzene.
What is the SMILES notation for 1,2,3,4-tetraiodo-5-methoxybenzene?
The canonical SMILES for 1,2,3,4-tetraiodo-5-methoxybenzene is COc1cc(I)c(I)c(I)c1I.
What is the InChIKey of 1,2,3,4-tetraiodo-5-methoxybenzene?
The InChIKey is OURVRJQWQADMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3.
What are the key properties of 1,2,3,4-tetraiodo-5-methoxybenzene?
1,2,3,4-tetraiodo-5-methoxybenzene has a molecular weight of 611.72 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraiodo-5-methoxybenzene is sourced from PubChem (CID 163208160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).