5-acetyl-2-iodo-3-methylbenzaldehyde

C10H9IO2 — CID 171015504

IUPAC5-acetyl-2-iodo-3-methylbenzaldehyde
SMILESCC(=O)c1cc(C)c(I)c(C=O)c1
InChIInChI=1S/C10H9IO2/c1-6-3-8(7(2)13)4-9(5-12)10(6)11/h3-5H,1-2H3
InChIKeyFESSCSMKWGJYEH-UHFFFAOYSA-N
MW288.08 g/mol
LogP2.61
Rot. Bonds2

About 5-acetyl-2-iodo-3-methylbenzaldehyde

5-acetyl-2-iodo-3-methylbenzaldehyde (PubChem CID 171015504) has the molecular formula C10H9IO2 and a molecular weight of 288.08 g/mol. Its IUPAC name is 5-acetyl-2-iodo-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-acetyl-2-iodo-3-methylbenzaldehyde
PubChem CID171015504
Molecular FormulaC10H9IO2
Molecular Weight288.08 g/mol
Exact Mass287.96
IUPAC Name5-acetyl-2-iodo-3-methylbenzaldehyde
SMILESCC(=O)c1cc(C)c(I)c(C=O)c1
InChIInChI=1S/C10H9IO2/c1-6-3-8(7(2)13)4-9(5-12)10(6)11/h3-5H,1-2H3
InChIKeyFESSCSMKWGJYEH-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
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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Related Compounds

5-acetyl-3-chloro-2-iodobenzaldehyde
CID 171002056
1-(3-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 171025847
5-acetyl-3-chloro-2-methylbenzaldehyde
CID 171003493
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
3-acetyl-2-iodo-4-methylbenzaldehyde
CID 171015402
5-acetyl-1-benzofuran-7-carbaldehyde
CID 21220947
2,5-diacetylbenzaldehyde
CID 143109306
N-(4-acetyl-2,6-diiodophenyl)-3,4-diiodo-5-methylbenzamide;1-(3,4,5-triiodophenyl)ethanone
CID 158051419
6-acetyl-2,5-dimethylpyridine-3-carbaldehyde
CID 130047739
5-acetyl-4-formyl-2-methylbenzonitrile
CID 171016816
methyl 4-fluoro-3-formyl-5-methylbenzoate
CID 164893562
4-acetyl-2-methyl-6-nitrobenzaldehyde
CID 171013079

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-iodo-3-methylbenzaldehyde?
The IUPAC name of 5-acetyl-2-iodo-3-methylbenzaldehyde (CID 171015504) is 5-acetyl-2-iodo-3-methylbenzaldehyde.
What is the SMILES notation for 5-acetyl-2-iodo-3-methylbenzaldehyde?
The canonical SMILES for 5-acetyl-2-iodo-3-methylbenzaldehyde is CC(=O)c1cc(C)c(I)c(C=O)c1.
What is the InChIKey of 5-acetyl-2-iodo-3-methylbenzaldehyde?
The InChIKey is FESSCSMKWGJYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2/c1-6-3-8(7(2)13)4-9(5-12)10(6)11/h3-5H,1-2H3.
What are the key properties of 5-acetyl-2-iodo-3-methylbenzaldehyde?
5-acetyl-2-iodo-3-methylbenzaldehyde has a molecular weight of 288.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-iodo-3-methylbenzaldehyde is sourced from PubChem (CID 171015504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).