2-tert-butyl-1-iodo-4-methylbenzene

C11H15I — CID 146355198

IUPAC2-tert-butyl-1-iodo-4-methylbenzene
SMILESCc1ccc(I)c(C(C)(C)C)c1
InChIInChI=1S/C11H15I/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7H,1-4H3
InChIKeyDNRQCYBZPAGLCQ-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.90
Rot. Bonds

About 2-tert-butyl-1-iodo-4-methylbenzene

2-tert-butyl-1-iodo-4-methylbenzene (PubChem CID 146355198) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is 2-tert-butyl-1-iodo-4-methylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1-iodo-4-methylbenzene
PubChem CID146355198
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name2-tert-butyl-1-iodo-4-methylbenzene
SMILESCc1ccc(I)c(C(C)(C)C)c1
InChIInChI=1S/C11H15I/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7H,1-4H3
InChIKeyDNRQCYBZPAGLCQ-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.90
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

(3S)-3-amino-3-(2-iodo-5-methylphenyl)butan-1-ol
CID 130664778
1-tert-butyl-2-iodobenzene
CID 637957
2-tert-butyl-1,4-dimethylbenzene;pentane
CID 142249583
4-tert-butyl-3-iodobenzonitrile
CID 58989887
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
magnesium;hydride;1-iodo-2,4-dimethylbenzene
CID 173036692
N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine
CID 90254069
(6-tert-butyl-3-iodo-2-methylphenyl)mercury
CID 59905408
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
1-tert-butyl-3,5-diiodo-2-methylbenzene
CID 146354374
CID 174376372
CID 174376372
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-iodo-4-methylbenzene?
The IUPAC name of 2-tert-butyl-1-iodo-4-methylbenzene (CID 146355198) is 2-tert-butyl-1-iodo-4-methylbenzene.
What is the SMILES notation for 2-tert-butyl-1-iodo-4-methylbenzene?
The canonical SMILES for 2-tert-butyl-1-iodo-4-methylbenzene is Cc1ccc(I)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-iodo-4-methylbenzene?
The InChIKey is DNRQCYBZPAGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-1-iodo-4-methylbenzene?
2-tert-butyl-1-iodo-4-methylbenzene has a molecular weight of 274.14 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-iodo-4-methylbenzene is sourced from PubChem (CID 146355198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).