2-(4-iodo-2-methylphenyl)propanoic acid

C10H11IO2 — CID 131284979

IUPAC2-(4-iodo-2-methylphenyl)propanoic acid
SMILESCc1cc(I)ccc1C(C)C(=O)O
InChIInChI=1S/C10H11IO2/c1-6-5-8(11)3-4-9(6)7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyQSXGFHUVCVVMJP-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-iodo-2-methylphenyl)propanoic acid

2-(4-iodo-2-methylphenyl)propanoic acid (PubChem CID 131284979) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(4-iodo-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-iodo-2-methylphenyl)propanoic acid
PubChem CID131284979
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-(4-iodo-2-methylphenyl)propanoic acid
SMILESCc1cc(I)ccc1C(C)C(=O)O
InChIInChI=1S/C10H11IO2/c1-6-5-8(11)3-4-9(6)7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyQSXGFHUVCVVMJP-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-iodo-2-methylphenyl)propanoic acid 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

2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
CID 131034107
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
1-(4-iodo-2-methylphenyl)ethyl 2-methylprop-2-enoate
CID 170396522
2-[4-[3-(4-chlorophenyl)-3-(4-iodophenyl)prop-2-enoxy]-2-methylphenyl]propanoic acid
CID 69003872
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(4-formyl-2-iodophenyl)propanoic acid
CID 134658408
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-methylphenyl)propanoic acid?
The IUPAC name of 2-(4-iodo-2-methylphenyl)propanoic acid (CID 131284979) is 2-(4-iodo-2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-iodo-2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(4-iodo-2-methylphenyl)propanoic acid is Cc1cc(I)ccc1C(C)C(=O)O.
What is the InChIKey of 2-(4-iodo-2-methylphenyl)propanoic acid?
The InChIKey is QSXGFHUVCVVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-6-5-8(11)3-4-9(6)7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(4-iodo-2-methylphenyl)propanoic acid?
2-(4-iodo-2-methylphenyl)propanoic acid has a molecular weight of 290.10 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methylphenyl)propanoic acid is sourced from PubChem (CID 131284979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).