(4-methoxyphenyl)methyl-phenyliodanium

C14H14IO+ — CID 22385450

IUPAC(4-methoxyphenyl)methyl-phenyliodanium
SMILESCOc1ccc(C[I+]c2ccccc2)cc1
InChIInChI=1S/C14H14IO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10H,11H2,1H3/q+1
InChIKeyVPQAFOWBKWKVQQ-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.15
Rot. Bonds4

About (4-methoxyphenyl)methyl-phenyliodanium

(4-methoxyphenyl)methyl-phenyliodanium (PubChem CID 22385450) has the molecular formula C14H14IO+ and a molecular weight of 325.17 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-phenyliodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-phenyliodanium
PubChem CID22385450
Molecular FormulaC14H14IO+
Molecular Weight325.17 g/mol
Exact Mass325.01
IUPAC Name(4-methoxyphenyl)methyl-phenyliodanium
SMILESCOc1ccc(C[I+]c2ccccc2)cc1
InChIInChI=1S/C14H14IO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10H,11H2,1H3/q+1
InChIKeyVPQAFOWBKWKVQQ-UHFFFAOYSA-N
XLogP0.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.15
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

(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
benzyl(phenyl)iodanium tetrafluoroborate
CID 134880627
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-phenyliodanium?
The IUPAC name of (4-methoxyphenyl)methyl-phenyliodanium (CID 22385450) is (4-methoxyphenyl)methyl-phenyliodanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-phenyliodanium?
The canonical SMILES for (4-methoxyphenyl)methyl-phenyliodanium is COc1ccc(C[I+]c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-phenyliodanium?
The InChIKey is VPQAFOWBKWKVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10H,11H2,1H3/q+1.
What are the key properties of (4-methoxyphenyl)methyl-phenyliodanium?
(4-methoxyphenyl)methyl-phenyliodanium has a molecular weight of 325.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-phenyliodanium is sourced from PubChem (CID 22385450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).