1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene

C13H19I — CID 143199593

IUPAC1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(C)(C)I)cc1
InChIInChI=1S/C13H19I/c1-10(2)9-11-5-7-12(8-6-11)13(3,4)14/h5-8,10H,9H2,1-4H3
InChIKeyUSPQPRRXWZEEQY-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.56
Rot. Bonds3

About 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene

1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene (PubChem CID 143199593) has the molecular formula C13H19I and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
PubChem CID143199593
Molecular FormulaC13H19I
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(C)(C)I)cc1
InChIInChI=1S/C13H19I/c1-10(2)9-11-5-7-12(8-6-11)13(3,4)14/h5-8,10H,9H2,1-4H3
InChIKeyUSPQPRRXWZEEQY-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
CID 67657815
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
bis(4-tert-butylphenyl)-[4-(2-methylpropyl)phenyl]sulfanium
CID 58260924
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
(1S)-1-iodo-1-[4-(2-methylpropyl)phenyl]butan-1-ol
CID 67850525
4-[2-[4-(2-methylpropyl)phenyl]propan-2-yl]pyridine
CID 154718340
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
CID 105465847

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene (CID 143199593) is 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(C)(C)I)cc1.
What is the InChIKey of 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene?
The InChIKey is USPQPRRXWZEEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19I/c1-10(2)9-11-5-7-12(8-6-11)13(3,4)14/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene?
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene has a molecular weight of 302.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 143199593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).