methyl-[4-(3-methylbutoxy)phenyl]iodanium

C12H18IO+ — CID 168795737

IUPACmethyl-[4-(3-methylbutoxy)phenyl]iodanium
SMILESC[I+]c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C12H18IO/c1-10(2)8-9-14-12-6-4-11(13-3)5-7-12/h4-7,10H,8-9H2,1-3H3/q+1
InChIKeySISLZZHCZBKNKJ-UHFFFAOYSA-N
MW305.18 g/mol
LogP-0.00
Rot. Bonds5

About methyl-[4-(3-methylbutoxy)phenyl]iodanium

methyl-[4-(3-methylbutoxy)phenyl]iodanium (PubChem CID 168795737) has the molecular formula C12H18IO+ and a molecular weight of 305.18 g/mol. Its IUPAC name is methyl-[4-(3-methylbutoxy)phenyl]iodanium.

Molecular Properties

Compound Namemethyl-[4-(3-methylbutoxy)phenyl]iodanium
PubChem CID168795737
Molecular FormulaC12H18IO+
Molecular Weight305.18 g/mol
Exact Mass305.04
IUPAC Namemethyl-[4-(3-methylbutoxy)phenyl]iodanium
SMILESC[I+]c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C12H18IO/c1-10(2)8-9-14-12-6-4-11(13-3)5-7-12/h4-7,10H,8-9H2,1-3H3/q+1
InChIKeySISLZZHCZBKNKJ-UHFFFAOYSA-N
XLogP-0.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
[4-(3-methylbutoxy)phenyl] formate
CID 54338269
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(3-methylbutoxy)phenyl]iodanium?
The IUPAC name of methyl-[4-(3-methylbutoxy)phenyl]iodanium (CID 168795737) is methyl-[4-(3-methylbutoxy)phenyl]iodanium.
What is the SMILES notation for methyl-[4-(3-methylbutoxy)phenyl]iodanium?
The canonical SMILES for methyl-[4-(3-methylbutoxy)phenyl]iodanium is C[I+]c1ccc(OCCC(C)C)cc1.
What is the InChIKey of methyl-[4-(3-methylbutoxy)phenyl]iodanium?
The InChIKey is SISLZZHCZBKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IO/c1-10(2)8-9-14-12-6-4-11(13-3)5-7-12/h4-7,10H,8-9H2,1-3H3/q+1.
What are the key properties of methyl-[4-(3-methylbutoxy)phenyl]iodanium?
methyl-[4-(3-methylbutoxy)phenyl]iodanium has a molecular weight of 305.18 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(3-methylbutoxy)phenyl]iodanium is sourced from PubChem (CID 168795737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).