2-(2,4-dihydroxy-3-iodophenyl)propanal

C9H9IO3 — CID 174531165

IUPAC2-(2,4-dihydroxy-3-iodophenyl)propanal
SMILESCC(C=O)c1ccc(O)c(I)c1O
InChIInChI=1S/C9H9IO3/c1-5(4-11)6-2-3-7(12)8(10)9(6)13/h2-5,12-13H,1H3
InChIKeyZPTWIOUCOWMEKZ-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.00
Rot. Bonds2

About 2-(2,4-dihydroxy-3-iodophenyl)propanal

2-(2,4-dihydroxy-3-iodophenyl)propanal (PubChem CID 174531165) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-3-iodophenyl)propanal.

Molecular Properties

Compound Name2-(2,4-dihydroxy-3-iodophenyl)propanal
PubChem CID174531165
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name2-(2,4-dihydroxy-3-iodophenyl)propanal
SMILESCC(C=O)c1ccc(O)c(I)c1O
InChIInChI=1S/C9H9IO3/c1-5(4-11)6-2-3-7(12)8(10)9(6)13/h2-5,12-13H,1H3
InChIKeyZPTWIOUCOWMEKZ-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dihydroxy-3-iodophenyl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-3-iodophenyl)propanal?
The IUPAC name of 2-(2,4-dihydroxy-3-iodophenyl)propanal (CID 174531165) is 2-(2,4-dihydroxy-3-iodophenyl)propanal.
What is the SMILES notation for 2-(2,4-dihydroxy-3-iodophenyl)propanal?
The canonical SMILES for 2-(2,4-dihydroxy-3-iodophenyl)propanal is CC(C=O)c1ccc(O)c(I)c1O.
What is the InChIKey of 2-(2,4-dihydroxy-3-iodophenyl)propanal?
The InChIKey is ZPTWIOUCOWMEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-5(4-11)6-2-3-7(12)8(10)9(6)13/h2-5,12-13H,1H3.
What are the key properties of 2-(2,4-dihydroxy-3-iodophenyl)propanal?
2-(2,4-dihydroxy-3-iodophenyl)propanal has a molecular weight of 292.07 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-3-iodophenyl)propanal is sourced from PubChem (CID 174531165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).