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

C15H15I — CID 118487182

IUPAC1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15I/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-5,8-11H,6-7H2,1H3
InChIKeyQSNGDWNGZLXXKO-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.38
Rot. Bonds3

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

1-iodo-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 118487182) has the molecular formula C15H15I and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
PubChem CID118487182
Molecular FormulaC15H15I
Molecular Weight322.19 g/mol
Exact Mass322.02
IUPAC Name1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15I/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-5,8-11H,6-7H2,1H3
InChIKeyQSNGDWNGZLXXKO-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
1-(3-iodopropyl)-4-methylbenzene
CID 18402542
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1-bromo-4-iodobenzene;1-bromo-4-[2-(4-methylphenyl)ethynyl]benzene;1-ethynyl-4-methylbenzene;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 158591615
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
acetaldehyde;1-iodo-4-methylbenzene
CID 142221579
CID 155601608
CID 155601608

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene (CID 118487182) is 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene?
The InChIKey is QSNGDWNGZLXXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15I/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene?
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 322.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 118487182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).