1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene

C17H19IO — CID 65489139

IUPAC1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C17H19IO/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3
InChIKeyYNJGUSLLXWUGBF-UHFFFAOYSA-N
MW366.24 g/mol
LogP5.17
Rot. Bonds3

About 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene

1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene (PubChem CID 65489139) has the molecular formula C17H19IO and a molecular weight of 366.24 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene
PubChem CID65489139
Molecular FormulaC17H19IO
Molecular Weight366.24 g/mol
Exact Mass366.05
IUPAC Name1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C17H19IO/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3
InChIKeyYNJGUSLLXWUGBF-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.24
LogP ≤ 55.17
H-Bond Donors ≤ 50
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 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene (CID 65489139) is 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene is CC(C)(C)c1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene?
The InChIKey is YNJGUSLLXWUGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene?
1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene has a molecular weight of 366.24 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 65489139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).