1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene

C24H23I — CID 169258960

IUPAC1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene
SMILESC=C(C)c1ccccc1C(C)(c1ccc(C)cc1)c1ccc(I)cc1
InChIInChI=1S/C24H23I/c1-17(2)22-7-5-6-8-23(22)24(4,19-11-9-18(3)10-12-19)20-13-15-21(25)16-14-20/h5-16H,1H2,2-4H3
InChIKeyNKKFZOFTJGECTF-UHFFFAOYSA-N
MW438.35 g/mol
LogP6.99
Rot. Bonds4

About 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene

1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene (PubChem CID 169258960) has the molecular formula C24H23I and a molecular weight of 438.35 g/mol. Its IUPAC name is 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene
PubChem CID169258960
Molecular FormulaC24H23I
Molecular Weight438.35 g/mol
Exact Mass438.08
IUPAC Name1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene
SMILESC=C(C)c1ccccc1C(C)(c1ccc(C)cc1)c1ccc(I)cc1
InChIInChI=1S/C24H23I/c1-17(2)22-7-5-6-8-23(22)24(4,19-11-9-18(3)10-12-19)20-13-15-21(25)16-14-20/h5-16H,1H2,2-4H3
InChIKeyNKKFZOFTJGECTF-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene?
The IUPAC name of 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene (CID 169258960) is 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene.
What is the SMILES notation for 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene?
The canonical SMILES for 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene is C=C(C)c1ccccc1C(C)(c1ccc(C)cc1)c1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene?
The InChIKey is NKKFZOFTJGECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23I/c1-17(2)22-7-5-6-8-23(22)24(4,19-11-9-18(3)10-12-19)20-13-15-21(25)16-14-20/h5-16H,1H2,2-4H3.
What are the key properties of 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene?
1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene has a molecular weight of 438.35 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene is sourced from PubChem (CID 169258960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).