2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid

C11H13IO2 — CID 57419640

IUPAC2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid
SMILESCCc1cc(I)cc(C)c1CC(=O)O
InChIInChI=1S/C11H13IO2/c1-3-8-5-9(12)4-7(2)10(8)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyPUUFXFAKXAGRFX-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid

2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid (PubChem CID 57419640) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid
PubChem CID57419640
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid
SMILESCCc1cc(I)cc(C)c1CC(=O)O
InChIInChI=1S/C11H13IO2/c1-3-8-5-9(12)4-7(2)10(8)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyPUUFXFAKXAGRFX-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid?
The IUPAC name of 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid (CID 57419640) is 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid is CCc1cc(I)cc(C)c1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid?
The InChIKey is PUUFXFAKXAGRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-3-8-5-9(12)4-7(2)10(8)6-11(13)14/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid?
2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid has a molecular weight of 304.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-iodo-6-methylphenyl)acetic acid is sourced from PubChem (CID 57419640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).