3-(3-fluorophenyl)-5-methoxybenzoyl iodide

C14H10FIO2 — CID 89467098

IUPAC3-(3-fluorophenyl)-5-methoxybenzoyl iodide
SMILESCOc1cc(C(=O)I)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H10FIO2/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,1H3
InChIKeySIUIRIGUHZWQIK-UHFFFAOYSA-N
MW356.13 g/mol
LogP4.08
Rot. Bonds3

About 3-(3-fluorophenyl)-5-methoxybenzoyl iodide

3-(3-fluorophenyl)-5-methoxybenzoyl iodide (PubChem CID 89467098) has the molecular formula C14H10FIO2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methoxybenzoyl iodide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methoxybenzoyl iodide
PubChem CID89467098
Molecular FormulaC14H10FIO2
Molecular Weight356.13 g/mol
Exact Mass355.97
IUPAC Name3-(3-fluorophenyl)-5-methoxybenzoyl iodide
SMILESCOc1cc(C(=O)I)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H10FIO2/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,1H3
InChIKeySIUIRIGUHZWQIK-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methoxybenzoyl iodide?
The IUPAC name of 3-(3-fluorophenyl)-5-methoxybenzoyl iodide (CID 89467098) is 3-(3-fluorophenyl)-5-methoxybenzoyl iodide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methoxybenzoyl iodide?
The canonical SMILES for 3-(3-fluorophenyl)-5-methoxybenzoyl iodide is COc1cc(C(=O)I)cc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methoxybenzoyl iodide?
The InChIKey is SIUIRIGUHZWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIO2/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methoxybenzoyl iodide?
3-(3-fluorophenyl)-5-methoxybenzoyl iodide has a molecular weight of 356.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methoxybenzoyl iodide is sourced from PubChem (CID 89467098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).