1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene

C17H19I — CID 70457700

IUPAC1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
SMILESCC(C)c1ccccc1C(C)c1ccccc1I
InChIInChI=1S/C17H19I/c1-12(2)14-8-4-5-9-15(14)13(3)16-10-6-7-11-17(16)18/h4-13H,1-3H3
InChIKeyACALIONEINVUDY-UHFFFAOYSA-N
MW350.24 g/mol
LogP5.57
Rot. Bonds3

About 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene

1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene (PubChem CID 70457700) has the molecular formula C17H19I and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
PubChem CID70457700
Molecular FormulaC17H19I
Molecular Weight350.24 g/mol
Exact Mass350.05
IUPAC Name1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
SMILESCC(C)c1ccccc1C(C)c1ccccc1I
InChIInChI=1S/C17H19I/c1-12(2)14-8-4-5-9-15(14)13(3)16-10-6-7-11-17(16)18/h4-13H,1-3H3
InChIKeyACALIONEINVUDY-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene?
The IUPAC name of 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene (CID 70457700) is 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene.
What is the SMILES notation for 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene?
The canonical SMILES for 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene is CC(C)c1ccccc1C(C)c1ccccc1I.
What is the InChIKey of 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene?
The InChIKey is ACALIONEINVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19I/c1-12(2)14-8-4-5-9-15(14)13(3)16-10-6-7-11-17(16)18/h4-13H,1-3H3.
What are the key properties of 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene?
1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene has a molecular weight of 350.24 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene is sourced from PubChem (CID 70457700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).