2-(2-ethyl-4-iodophenyl)acetic acid

C10H11IO2 — CID 91883775

IUPAC2-(2-ethyl-4-iodophenyl)acetic acid
SMILESCCc1cc(I)ccc1CC(=O)O
InChIInChI=1S/C10H11IO2/c1-2-7-5-9(11)4-3-8(7)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyIXYFYXOSQRLPDA-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-ethyl-4-iodophenyl)acetic acid

2-(2-ethyl-4-iodophenyl)acetic acid (PubChem CID 91883775) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(2-ethyl-4-iodophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-iodophenyl)acetic acid
PubChem CID91883775
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-(2-ethyl-4-iodophenyl)acetic acid
SMILESCCc1cc(I)ccc1CC(=O)O
InChIInChI=1S/C10H11IO2/c1-2-7-5-9(11)4-3-8(7)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyIXYFYXOSQRLPDA-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.48
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-iodophenyl)acetic acid?
The IUPAC name of 2-(2-ethyl-4-iodophenyl)acetic acid (CID 91883775) is 2-(2-ethyl-4-iodophenyl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-iodophenyl)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-iodophenyl)acetic acid is CCc1cc(I)ccc1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-4-iodophenyl)acetic acid?
The InChIKey is IXYFYXOSQRLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-2-7-5-9(11)4-3-8(7)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-ethyl-4-iodophenyl)acetic acid?
2-(2-ethyl-4-iodophenyl)acetic acid has a molecular weight of 290.10 g/mol, XLogP of 2.48, 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-iodophenyl)acetic acid is sourced from PubChem (CID 91883775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).