1-iodo-4-(3-methylpentan-3-yl)benzene

C12H17I — CID 170407993

IUPAC1-iodo-4-(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1ccc(I)cc1
InChIInChI=1S/C12H17I/c1-4-12(3,5-2)10-6-8-11(13)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyFTCHJYHYCMIVPL-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.37
Rot. Bonds3

About 1-iodo-4-(3-methylpentan-3-yl)benzene

1-iodo-4-(3-methylpentan-3-yl)benzene (PubChem CID 170407993) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-iodo-4-(3-methylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-iodo-4-(3-methylpentan-3-yl)benzene
PubChem CID170407993
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name1-iodo-4-(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1ccc(I)cc1
InChIInChI=1S/C12H17I/c1-4-12(3,5-2)10-6-8-11(13)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyFTCHJYHYCMIVPL-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.37
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

4-(3-methylpentan-3-yl)benzenethiol
CID 129033225
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene
CID 160890095
[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite
CID 134256589
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
CID 163649969
N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
CID 154692080
1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate
CID 174811942
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-methylpentan-3-yl)benzene?
The IUPAC name of 1-iodo-4-(3-methylpentan-3-yl)benzene (CID 170407993) is 1-iodo-4-(3-methylpentan-3-yl)benzene.
What is the SMILES notation for 1-iodo-4-(3-methylpentan-3-yl)benzene?
The canonical SMILES for 1-iodo-4-(3-methylpentan-3-yl)benzene is CCC(C)(CC)c1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(3-methylpentan-3-yl)benzene?
The InChIKey is FTCHJYHYCMIVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c1-4-12(3,5-2)10-6-8-11(13)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-iodo-4-(3-methylpentan-3-yl)benzene?
1-iodo-4-(3-methylpentan-3-yl)benzene has a molecular weight of 288.17 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-methylpentan-3-yl)benzene is sourced from PubChem (CID 170407993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).