2-hydroxy-3,5-diiodo-4-methylbenzaldehyde

C8H6I2O2 — CID 147543353

IUPAC2-hydroxy-3,5-diiodo-4-methylbenzaldehyde
SMILESCc1c(I)cc(C=O)c(O)c1I
InChIInChI=1S/C8H6I2O2/c1-4-6(9)2-5(3-11)8(12)7(4)10/h2-3,12H,1H3
InChIKeyFPIUBBRQWWIVDF-UHFFFAOYSA-N
MW387.94 g/mol
LogP2.72
Rot. Bonds1

About 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde

2-hydroxy-3,5-diiodo-4-methylbenzaldehyde (PubChem CID 147543353) has the molecular formula C8H6I2O2 and a molecular weight of 387.94 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodo-4-methylbenzaldehyde
PubChem CID147543353
Molecular FormulaC8H6I2O2
Molecular Weight387.94 g/mol
Exact Mass387.85
IUPAC Name2-hydroxy-3,5-diiodo-4-methylbenzaldehyde
SMILESCc1c(I)cc(C=O)c(O)c1I
InChIInChI=1S/C8H6I2O2/c1-4-6(9)2-5(3-11)8(12)7(4)10/h2-3,12H,1H3
InChIKeyFPIUBBRQWWIVDF-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde?
The IUPAC name of 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde (CID 147543353) is 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde is Cc1c(I)cc(C=O)c(O)c1I.
What is the InChIKey of 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde?
The InChIKey is FPIUBBRQWWIVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O2/c1-4-6(9)2-5(3-11)8(12)7(4)10/h2-3,12H,1H3.
What are the key properties of 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde?
2-hydroxy-3,5-diiodo-4-methylbenzaldehyde has a molecular weight of 387.94 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodo-4-methylbenzaldehyde is sourced from PubChem (CID 147543353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).