2-[4-(4-iodophenyl)phenoxy]propanoic acid

C15H13IO3 — CID 16773911

IUPAC2-[4-(4-iodophenyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc(I)cc2)cc1)C(=O)O
InChIInChI=1S/C15H13IO3/c1-10(15(17)18)19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10H,1H3,(H,17,18)
InChIKeyFQHGQIRLUDVUDF-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.81
Rot. Bonds4

About 2-[4-(4-iodophenyl)phenoxy]propanoic acid

2-[4-(4-iodophenyl)phenoxy]propanoic acid (PubChem CID 16773911) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-[4-(4-iodophenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-iodophenyl)phenoxy]propanoic acid
PubChem CID16773911
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name2-[4-(4-iodophenyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc(I)cc2)cc1)C(=O)O
InChIInChI=1S/C15H13IO3/c1-10(15(17)18)19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10H,1H3,(H,17,18)
InChIKeyFQHGQIRLUDVUDF-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[4-(4-octoxyphenyl)phenoxy]propanoic acid
CID 71341870
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-iodophenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(4-iodophenyl)phenoxy]propanoic acid (CID 16773911) is 2-[4-(4-iodophenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(4-iodophenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(4-iodophenyl)phenoxy]propanoic acid is CC(Oc1ccc(-c2ccc(I)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(4-iodophenyl)phenoxy]propanoic acid?
The InChIKey is FQHGQIRLUDVUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c1-10(15(17)18)19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[4-(4-iodophenyl)phenoxy]propanoic acid?
2-[4-(4-iodophenyl)phenoxy]propanoic acid has a molecular weight of 368.17 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-iodophenyl)phenoxy]propanoic acid is sourced from PubChem (CID 16773911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).