[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium

C14H14IO2+ — CID 87105153

IUPAC[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14IO2/c1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12/h2-9,16H,10H2,1H3/q+1
InChIKeyPLQKKWWISHUAQB-UHFFFAOYSA-N
MW341.17 g/mol
LogP-0.68
Rot. Bonds4

About [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium

[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium (PubChem CID 87105153) has the molecular formula C14H14IO2+ and a molecular weight of 341.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
PubChem CID87105153
Molecular FormulaC14H14IO2+
Molecular Weight341.17 g/mol
Exact Mass341.00
IUPAC Name[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(CO)cc2)cc1
InChIInChI=1S/C14H14IO2/c1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12/h2-9,16H,10H2,1H3/q+1
InChIKeyPLQKKWWISHUAQB-UHFFFAOYSA-N
XLogP-0.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
CID 71814531
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
[4-(hydroxymethyl)phenyl]-phenyliodanium
CID 140809539
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
1-(chloromethyl)-4-methoxybenzene;ethoxyethane;(4-methoxyphenyl)methanol
CID 158538625
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
CID 143474239
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium?
The IUPAC name of [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium (CID 87105153) is [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium is COc1ccc([I+]c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium?
The InChIKey is PLQKKWWISHUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IO2/c1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12/h2-9,16H,10H2,1H3/q+1.
What are the key properties of [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium?
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium has a molecular weight of 341.17 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium is sourced from PubChem (CID 87105153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).