4-(2-iodophenoxy)-3-methylbenzonitrile

C14H10INO — CID 55219826

IUPAC4-(2-iodophenoxy)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccccc1I
InChIInChI=1S/C14H10INO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyUNSWOXJSRPOTNF-UHFFFAOYSA-N
MW335.14 g/mol
LogP4.26
Rot. Bonds2

About 4-(2-iodophenoxy)-3-methylbenzonitrile

4-(2-iodophenoxy)-3-methylbenzonitrile (PubChem CID 55219826) has the molecular formula C14H10INO and a molecular weight of 335.14 g/mol. Its IUPAC name is 4-(2-iodophenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-iodophenoxy)-3-methylbenzonitrile
PubChem CID55219826
Molecular FormulaC14H10INO
Molecular Weight335.14 g/mol
Exact Mass334.98
IUPAC Name4-(2-iodophenoxy)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccccc1I
InChIInChI=1S/C14H10INO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyUNSWOXJSRPOTNF-UHFFFAOYSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)-3-methylbenzonitrile?
The IUPAC name of 4-(2-iodophenoxy)-3-methylbenzonitrile (CID 55219826) is 4-(2-iodophenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2-iodophenoxy)-3-methylbenzonitrile?
The canonical SMILES for 4-(2-iodophenoxy)-3-methylbenzonitrile is Cc1cc(C#N)ccc1Oc1ccccc1I.
What is the InChIKey of 4-(2-iodophenoxy)-3-methylbenzonitrile?
The InChIKey is UNSWOXJSRPOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3.
What are the key properties of 4-(2-iodophenoxy)-3-methylbenzonitrile?
4-(2-iodophenoxy)-3-methylbenzonitrile has a molecular weight of 335.14 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 55219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).