2,5-diiodobenzene-1,4-diol

C6H4I2O2 — CID 18504287

IUPAC2,5-diiodobenzene-1,4-diol
SMILESOc1cc(I)c(O)cc1I
InChIInChI=1S/C6H4I2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyXDLGDTUOWIFMQC-UHFFFAOYSA-N
MW361.90 g/mol
LogP2.31
Rot. Bonds

About 2,5-diiodobenzene-1,4-diol

2,5-diiodobenzene-1,4-diol (PubChem CID 18504287) has the molecular formula C6H4I2O2 and a molecular weight of 361.90 g/mol. Its IUPAC name is 2,5-diiodobenzene-1,4-diol.

Molecular Properties

Compound Name2,5-diiodobenzene-1,4-diol
PubChem CID18504287
Molecular FormulaC6H4I2O2
Molecular Weight361.90 g/mol
Exact Mass361.83
IUPAC Name2,5-diiodobenzene-1,4-diol
SMILESOc1cc(I)c(O)cc1I
InChIInChI=1S/C6H4I2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyXDLGDTUOWIFMQC-UHFFFAOYSA-N
XLogP2.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
4-Iodophenol
CID 10894
2-Iodophenol
CID 10784
2,4,6-Triiodophenol
CID 11862
Sodium phenoxide
CID 66602278
2,4,6-Triiodoresorcinol
CID 152256
3-Iodophenol
CID 12272
Phenol-d6
CID 123295
2,4-Diiodophenol
CID 72858
1,4-Benzenediol, 2,6-diiodo-
CID 74775
3,5-Diiodophenol
CID 15505783

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodobenzene-1,4-diol?
The IUPAC name of 2,5-diiodobenzene-1,4-diol (CID 18504287) is 2,5-diiodobenzene-1,4-diol.
What is the SMILES notation for 2,5-diiodobenzene-1,4-diol?
The canonical SMILES for 2,5-diiodobenzene-1,4-diol is Oc1cc(I)c(O)cc1I.
What is the InChIKey of 2,5-diiodobenzene-1,4-diol?
The InChIKey is XDLGDTUOWIFMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H.
What are the key properties of 2,5-diiodobenzene-1,4-diol?
2,5-diiodobenzene-1,4-diol has a molecular weight of 361.90 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodobenzene-1,4-diol is sourced from PubChem (CID 18504287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).