1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene

C17H18I2 — CID 163209653

IUPAC1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene
SMILESCc1c(I)ccc(Cc2ccc(I)c(C)c2C)c1C
InChIInChI=1S/C17H18I2/c1-10-12(3)16(18)7-5-14(10)9-15-6-8-17(19)13(4)11(15)2/h5-8H,9H2,1-4H3
InChIKeyQEMKOORFHYUIMY-UHFFFAOYSA-N
MW476.14 g/mol
LogP5.72
Rot. Bonds2

About 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene

1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene (PubChem CID 163209653) has the molecular formula C17H18I2 and a molecular weight of 476.14 g/mol. Its IUPAC name is 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene
PubChem CID163209653
Molecular FormulaC17H18I2
Molecular Weight476.14 g/mol
Exact Mass475.95
IUPAC Name1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene
SMILESCc1c(I)ccc(Cc2ccc(I)c(C)c2C)c1C
InChIInChI=1S/C17H18I2/c1-10-12(3)16(18)7-5-14(10)9-15-6-8-17(19)13(4)11(15)2/h5-8H,9H2,1-4H3
InChIKeyQEMKOORFHYUIMY-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.14
LogP ≤ 55.72
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

3,6-diiodo-2-methylphenol
CID 131073470
1-(iodomethyl)-2-methyl-3-[(2-methylphenyl)methyl]benzene
CID 163476311
3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
3-(bromomethyl)-1-iodo-2,4-dimethylbenzene
CID 171015860
3-iodo-2,6-dimethylbenzenethiol
CID 91874812
1-iodo-2-[(2-iodophenyl)methyl]benzene
CID 597023
1-iodo-4-[(4-iodo-3-methylphenyl)methyl]-2-methylbenzene
CID 130252033
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
CID 155601438
CID 155601438
1-(2-bromo-4-iodo-3-methylphenyl)-2-chloroethanone
CID 171010262
1-chloro-2-fluoro-4-iodo-3-methylbenzene
CID 131011720
2-bromo-4-iodo-3-methylpyridine
CID 119024752

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene (CID 163209653) is 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene is Cc1c(I)ccc(Cc2ccc(I)c(C)c2C)c1C.
What is the InChIKey of 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is QEMKOORFHYUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18I2/c1-10-12(3)16(18)7-5-14(10)9-15-6-8-17(19)13(4)11(15)2/h5-8H,9H2,1-4H3.
What are the key properties of 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene?
1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 476.14 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 163209653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).