2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene

C16H17I — CID 139908776

IUPAC2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene
SMILESCc1ccccc1-c1cccc(C(C)C)c1I
InChIInChI=1S/C16H17I/c1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3/h4-11H,1-3H3
InChIKeyFQGVUAYLIPSUPB-UHFFFAOYSA-N
MW336.22 g/mol
LogP5.39
Rot. Bonds2

About 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene

2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene (PubChem CID 139908776) has the molecular formula C16H17I and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene
PubChem CID139908776
Molecular FormulaC16H17I
Molecular Weight336.22 g/mol
Exact Mass336.04
IUPAC Name2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene
SMILESCc1ccccc1-c1cccc(C(C)C)c1I
InChIInChI=1S/C16H17I/c1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3/h4-11H,1-3H3
InChIKeyFQGVUAYLIPSUPB-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.22
LogP ≤ 55.39
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

1,2-diiodo-3-propan-2-ylbenzene
CID 154662791
1-[2-(2-methylphenyl)phenyl]ethanethiol
CID 173178186
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-iodo-4-methylazulene
CID 139618085
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
2-methyl-6-propan-2-ylaniline
CID 162117439
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
[2-(2-methylphenyl)-6-propan-2-ylphenyl] (2-propan-2-ylphenyl) hydrogen phosphate
CID 141150227
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene?
The IUPAC name of 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene (CID 139908776) is 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene?
The canonical SMILES for 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene is Cc1ccccc1-c1cccc(C(C)C)c1I.
What is the InChIKey of 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene?
The InChIKey is FQGVUAYLIPSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17I/c1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3/h4-11H,1-3H3.
What are the key properties of 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene?
2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene has a molecular weight of 336.22 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(2-methylphenyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 139908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).