1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene

C13H18I2 — CID 154931804

IUPAC1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene
SMILESCC(CI)c1cccc(C(C)(C)CI)c1
InChIInChI=1S/C13H18I2/c1-10(8-14)11-5-4-6-12(7-11)13(2,3)9-15/h4-7,10H,8-9H2,1-3H3
InChIKeyMJWMWABFKDCLQC-UHFFFAOYSA-N
MW428.10 g/mol
LogP4.94
Rot. Bonds4

About 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene

1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene (PubChem CID 154931804) has the molecular formula C13H18I2 and a molecular weight of 428.10 g/mol. Its IUPAC name is 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene
PubChem CID154931804
Molecular FormulaC13H18I2
Molecular Weight428.10 g/mol
Exact Mass427.95
IUPAC Name1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene
SMILESCC(CI)c1cccc(C(C)(C)CI)c1
InChIInChI=1S/C13H18I2/c1-10(8-14)11-5-4-6-12(7-11)13(2,3)9-15/h4-7,10H,8-9H2,1-3H3
InChIKeyMJWMWABFKDCLQC-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.10
LogP ≤ 54.94
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

CID 23527699
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3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
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1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
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CID 162348245

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene?
The IUPAC name of 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene (CID 154931804) is 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene.
What is the SMILES notation for 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene?
The canonical SMILES for 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene is CC(CI)c1cccc(C(C)(C)CI)c1.
What is the InChIKey of 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene?
The InChIKey is MJWMWABFKDCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18I2/c1-10(8-14)11-5-4-6-12(7-11)13(2,3)9-15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene?
1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene has a molecular weight of 428.10 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-2-methylpropan-2-yl)-3-(1-iodopropan-2-yl)benzene is sourced from PubChem (CID 154931804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).