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

C8H6I2O3 — CID 174349151

IUPAC3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde
SMILESCOc1c(I)cc(C=O)c(I)c1O
InChIInChI=1S/C8H6I2O3/c1-13-8-5(9)2-4(3-11)6(10)7(8)12/h2-3,12H,1H3
InChIKeyNQIASOYGWQZUMW-UHFFFAOYSA-N
MW403.94 g/mol
LogP2.42
Rot. Bonds2

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

3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde (PubChem CID 174349151) has the molecular formula C8H6I2O3 and a molecular weight of 403.94 g/mol. Its IUPAC name is 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde
PubChem CID174349151
Molecular FormulaC8H6I2O3
Molecular Weight403.94 g/mol
Exact Mass403.84
IUPAC Name3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde
SMILESCOc1c(I)cc(C=O)c(I)c1O
InChIInChI=1S/C8H6I2O3/c1-13-8-5(9)2-4(3-11)6(10)7(8)12/h2-3,12H,1H3
InChIKeyNQIASOYGWQZUMW-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-formyl-3-hydroxy-4-iodo-2-methoxybenzoate
CID 11393527
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
2-hydroxy-3,5-diiodo-4-methylbenzaldehyde
CID 147543353
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
methyl 3-formyl-4-hydroxy-5-iodobenzoate
CID 86251227
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
2-(2-hydroxy-3,4-dimethoxyphenyl)-3-iodobenzaldehyde
CID 87800826

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde?
The IUPAC name of 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde (CID 174349151) is 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde is COc1c(I)cc(C=O)c(I)c1O.
What is the InChIKey of 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde?
The InChIKey is NQIASOYGWQZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O3/c1-13-8-5(9)2-4(3-11)6(10)7(8)12/h2-3,12H,1H3.
What are the key properties of 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde?
3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde has a molecular weight of 403.94 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-diiodo-4-methoxybenzaldehyde is sourced from PubChem (CID 174349151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).