5-(4-iodophenoxy)furan-2-carboxylic acid

C11H7IO4 — CID 62205649

IUPAC5-(4-iodophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(I)cc2)o1
InChIInChI=1S/C11H7IO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeyHFOAUXPFCACSID-UHFFFAOYSA-N
MW330.08 g/mol
LogP3.37
Rot. Bonds3

About 5-(4-iodophenoxy)furan-2-carboxylic acid

5-(4-iodophenoxy)furan-2-carboxylic acid (PubChem CID 62205649) has the molecular formula C11H7IO4 and a molecular weight of 330.08 g/mol. Its IUPAC name is 5-(4-iodophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-iodophenoxy)furan-2-carboxylic acid
PubChem CID62205649
Molecular FormulaC11H7IO4
Molecular Weight330.08 g/mol
Exact Mass329.94
IUPAC Name5-(4-iodophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(I)cc2)o1
InChIInChI=1S/C11H7IO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeyHFOAUXPFCACSID-UHFFFAOYSA-N
XLogP3.37
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenoxy)furan-2-carboxylic acid
CID 12604895
5-(3,5-dimethylphenoxy)furan-2-carboxylic acid
CID 28814724
5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
CID 55244838
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
CID 102702579
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 120657669
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529
5-[(4-iodophenyl)methylsulfinyl]furan-2-carboxylic acid
CID 65477316

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(4-iodophenoxy)furan-2-carboxylic acid (CID 62205649) is 5-(4-iodophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-iodophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-iodophenoxy)furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(I)cc2)o1.
What is the InChIKey of 5-(4-iodophenoxy)furan-2-carboxylic acid?
The InChIKey is HFOAUXPFCACSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-iodophenoxy)furan-2-carboxylic acid?
5-(4-iodophenoxy)furan-2-carboxylic acid has a molecular weight of 330.08 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 62205649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).