1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene

C11H14ClI — CID 66060397

IUPAC1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
SMILESCC(C)(CCl)Cc1ccc(I)cc1
InChIInChI=1S/C11H14ClI/c1-11(2,8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyYIBPVOMGQPWLLV-UHFFFAOYSA-N
MW308.59 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene

1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene (PubChem CID 66060397) has the molecular formula C11H14ClI and a molecular weight of 308.59 g/mol. Its IUPAC name is 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
PubChem CID66060397
Molecular FormulaC11H14ClI
Molecular Weight308.59 g/mol
Exact Mass307.98
IUPAC Name1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
SMILESCC(C)(CCl)Cc1ccc(I)cc1
InChIInChI=1S/C11H14ClI/c1-11(2,8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyYIBPVOMGQPWLLV-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 54.10
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-[2-(chloromethyl)-2-ethylbutyl]-4-iodobenzene
CID 66034492
[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
CID 69036950
1-[2,2-bis(chloromethyl)-4-methylpentyl]-4-iodobenzene
CID 79447299
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
CID 81033423
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
CID 66037217
1-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]-4-iodobenzene
CID 79453477
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
magnesium;1-chloro-4-(2,2-dimethylpropyl)benzene;1-chloro-4-iodobenzene;2-methanidyl-2-methylpropane;bromide
CID 165047416
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene?
The IUPAC name of 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene (CID 66060397) is 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene.
What is the SMILES notation for 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene?
The canonical SMILES for 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene is CC(C)(CCl)Cc1ccc(I)cc1.
What is the InChIKey of 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene?
The InChIKey is YIBPVOMGQPWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClI/c1-11(2,8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene?
1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene has a molecular weight of 308.59 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene is sourced from PubChem (CID 66060397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).