(4-methoxy-3,5-dimethylphenyl)-methyliodanium

C10H14IO+ — CID 22251529

IUPAC(4-methoxy-3,5-dimethylphenyl)-methyliodanium
SMILESCOc1c(C)cc([I+]C)cc1C
InChIInChI=1S/C10H14IO/c1-7-5-9(11-3)6-8(2)10(7)12-4/h5-6H,1-4H3/q+1
InChIKeyLKXYZCVVORKWJT-UHFFFAOYSA-N
MW277.12 g/mol
LogP-0.80
Rot. Bonds2

About (4-methoxy-3,5-dimethylphenyl)-methyliodanium

(4-methoxy-3,5-dimethylphenyl)-methyliodanium (PubChem CID 22251529) has the molecular formula C10H14IO+ and a molecular weight of 277.12 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-methyliodanium.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-methyliodanium
PubChem CID22251529
Molecular FormulaC10H14IO+
Molecular Weight277.12 g/mol
Exact Mass277.01
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-methyliodanium
SMILESCOc1c(C)cc([I+]C)cc1C
InChIInChI=1S/C10H14IO/c1-7-5-9(11-3)6-8(2)10(7)12-4/h5-6H,1-4H3/q+1
InChIKeyLKXYZCVVORKWJT-UHFFFAOYSA-N
XLogP-0.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 5-0.80
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

ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-methoxy-3,5-dimethylphenol
CID 643378
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
CID 130057399
magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
CID 51346710
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 72502399
(2S,3S,4R,5R)-2-(3,4-dimethoxy-5-methylphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 86576126
ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 143834388
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
4-methoxy-3,5-dimethylbenzenesulfonic acid
CID 13356603
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-methyliodanium?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-methyliodanium (CID 22251529) is (4-methoxy-3,5-dimethylphenyl)-methyliodanium.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-methyliodanium?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-methyliodanium is COc1c(C)cc([I+]C)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-methyliodanium?
The InChIKey is LKXYZCVVORKWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IO/c1-7-5-9(11-3)6-8(2)10(7)12-4/h5-6H,1-4H3/q+1.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-methyliodanium?
(4-methoxy-3,5-dimethylphenyl)-methyliodanium has a molecular weight of 277.12 g/mol, XLogP of -0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-methyliodanium is sourced from PubChem (CID 22251529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).