(4-iodo-3-methylbutan-2-yl)benzene

C11H15I — CID 121265066

IUPAC(4-iodo-3-methylbutan-2-yl)benzene
SMILESCC(CI)C(C)c1ccccc1
InChIInChI=1S/C11H15I/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyDMORSHHURXKYTP-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.86
Rot. Bonds3

About (4-iodo-3-methylbutan-2-yl)benzene

(4-iodo-3-methylbutan-2-yl)benzene (PubChem CID 121265066) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is (4-iodo-3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name(4-iodo-3-methylbutan-2-yl)benzene
PubChem CID121265066
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name(4-iodo-3-methylbutan-2-yl)benzene
SMILESCC(CI)C(C)c1ccccc1
InChIInChI=1S/C11H15I/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyDMORSHHURXKYTP-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.86
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

[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
1,1-diphenylpropan-2-ylbenzene
CID 3664636
3-fluorobutan-2-ylbenzene
CID 159211068
(2R,3S)-2-[(R)-hydroxy(phenyl)methyl]-4-iodo-3-methyl-1-phenylbutan-1-one
CID 102014027
carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene
CID 134889146
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of (4-iodo-3-methylbutan-2-yl)benzene?
The IUPAC name of (4-iodo-3-methylbutan-2-yl)benzene (CID 121265066) is (4-iodo-3-methylbutan-2-yl)benzene.
What is the SMILES notation for (4-iodo-3-methylbutan-2-yl)benzene?
The canonical SMILES for (4-iodo-3-methylbutan-2-yl)benzene is CC(CI)C(C)c1ccccc1.
What is the InChIKey of (4-iodo-3-methylbutan-2-yl)benzene?
The InChIKey is DMORSHHURXKYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of (4-iodo-3-methylbutan-2-yl)benzene?
(4-iodo-3-methylbutan-2-yl)benzene has a molecular weight of 274.14 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-3-methylbutan-2-yl)benzene is sourced from PubChem (CID 121265066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).