2-(4-formyl-2-iodophenyl)propanoic acid

C10H9IO3 — CID 134658408

IUPAC2-(4-formyl-2-iodophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C=O)cc1I
InChIInChI=1S/C10H9IO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-6H,1H3,(H,13,14)
InChIKeyMEXXQYWLQQQBEW-UHFFFAOYSA-N
MW304.08 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-formyl-2-iodophenyl)propanoic acid

2-(4-formyl-2-iodophenyl)propanoic acid (PubChem CID 134658408) has the molecular formula C10H9IO3 and a molecular weight of 304.08 g/mol. Its IUPAC name is 2-(4-formyl-2-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-formyl-2-iodophenyl)propanoic acid
PubChem CID134658408
Molecular FormulaC10H9IO3
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name2-(4-formyl-2-iodophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C=O)cc1I
InChIInChI=1S/C10H9IO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-6H,1H3,(H,13,14)
InChIKeyMEXXQYWLQQQBEW-UHFFFAOYSA-N
XLogP2.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 52.29
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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Related Compounds

4-iodo-3-propan-2-ylbenzaldehyde
CID 22259703
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-[2-(1-chloro-2-oxopropyl)-5-formylphenyl]-2-hydroxyacetic acid
CID 134657203
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
4-propan-2-ylbenzene-1,3-dicarbaldehyde
CID 86643444
6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde
CID 160659327
2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-[2-(3-chloropropanoyl)-4-formylphenyl]-2-hydroxyacetic acid
CID 118814149
[1-(5-formyl-2-iodophenyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 87909404
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
bis[1-(2-ethoxy-4-formylphenyl)ethyl] (E)-but-2-enedioate
CID 141176541

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-iodophenyl)propanoic acid?
The IUPAC name of 2-(4-formyl-2-iodophenyl)propanoic acid (CID 134658408) is 2-(4-formyl-2-iodophenyl)propanoic acid.
What is the SMILES notation for 2-(4-formyl-2-iodophenyl)propanoic acid?
The canonical SMILES for 2-(4-formyl-2-iodophenyl)propanoic acid is CC(C(=O)O)c1ccc(C=O)cc1I.
What is the InChIKey of 2-(4-formyl-2-iodophenyl)propanoic acid?
The InChIKey is MEXXQYWLQQQBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(4-formyl-2-iodophenyl)propanoic acid?
2-(4-formyl-2-iodophenyl)propanoic acid has a molecular weight of 304.08 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-iodophenyl)propanoic acid is sourced from PubChem (CID 134658408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).