3-(4-iodophenyl)-2-oxopropanal

C9H7IO2 — CID 19048059

IUPAC3-(4-iodophenyl)-2-oxopropanal
SMILESO=CC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C9H7IO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,6H,5H2
InChIKeyAEPZPEKNJZAQOH-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.60
Rot. Bonds3

About 3-(4-iodophenyl)-2-oxopropanal

3-(4-iodophenyl)-2-oxopropanal (PubChem CID 19048059) has the molecular formula C9H7IO2 and a molecular weight of 274.06 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-oxopropanal.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-oxopropanal
PubChem CID19048059
Molecular FormulaC9H7IO2
Molecular Weight274.06 g/mol
Exact Mass273.95
IUPAC Name3-(4-iodophenyl)-2-oxopropanal
SMILESO=CC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C9H7IO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,6H,5H2
InChIKeyAEPZPEKNJZAQOH-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenyl)-2-oxopropanal with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,3-dioxopropyl)phenyl]formamide
CID 86346333
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
3-fluoro-1-(4-iodophenyl)-3-methylbutan-2-one
CID 126982059
1-(1,3-dioxolan-2-yl)-3-(4-iodophenyl)propan-2-one
CID 103543700
3-(4-iodophenyl)-1,1-dimethoxypropan-2-one
CID 79492104
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
CID 65478705
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
CID 132581734
[1-amino-2-(4-iodophenyl)ethylidene]azanium
CID 6347130

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-oxopropanal?
The IUPAC name of 3-(4-iodophenyl)-2-oxopropanal (CID 19048059) is 3-(4-iodophenyl)-2-oxopropanal.
What is the SMILES notation for 3-(4-iodophenyl)-2-oxopropanal?
The canonical SMILES for 3-(4-iodophenyl)-2-oxopropanal is O=CC(=O)Cc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-2-oxopropanal?
The InChIKey is AEPZPEKNJZAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,6H,5H2.
What are the key properties of 3-(4-iodophenyl)-2-oxopropanal?
3-(4-iodophenyl)-2-oxopropanal has a molecular weight of 274.06 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-oxopropanal is sourced from PubChem (CID 19048059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).