bis(4-hydroxyphenyl)iodanium

C12H10IO2+ — CID 19068687

IUPACbis(4-hydroxyphenyl)iodanium
SMILESOc1ccc([I+]c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9IO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8H,(H-,14,15)/p+1
InChIKeyYHOITYOXMQABRO-UHFFFAOYSA-O
MW313.11 g/mol
LogP-0.77
Rot. Bonds2

About bis(4-hydroxyphenyl)iodanium

bis(4-hydroxyphenyl)iodanium (PubChem CID 19068687) has the molecular formula C12H10IO2+ and a molecular weight of 313.11 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)iodanium.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)iodanium
PubChem CID19068687
Molecular FormulaC12H10IO2+
Molecular Weight313.11 g/mol
Exact Mass312.97
IUPAC Namebis(4-hydroxyphenyl)iodanium
SMILESOc1ccc([I+]c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9IO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8H,(H-,14,15)/p+1
InChIKeyYHOITYOXMQABRO-UHFFFAOYSA-O
XLogP-0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
benzene-1,4-diol;hydron
CID 137356428
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
benzene-1,4-diol;cyclohex-2-ene-1,4-diol
CID 159375181
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
bis(4-methylphenyl)iodanium
CID 158665540
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
bis(benzene-1,4-diol);carbonic acid
CID 68999082
4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
CID 11831593
benzene-1,4-diol;diphenylphosphane
CID 70153043

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)iodanium?
The IUPAC name of bis(4-hydroxyphenyl)iodanium (CID 19068687) is bis(4-hydroxyphenyl)iodanium.
What is the SMILES notation for bis(4-hydroxyphenyl)iodanium?
The canonical SMILES for bis(4-hydroxyphenyl)iodanium is Oc1ccc([I+]c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)iodanium?
The InChIKey is YHOITYOXMQABRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9IO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8H,(H-,14,15)/p+1.
What are the key properties of bis(4-hydroxyphenyl)iodanium?
bis(4-hydroxyphenyl)iodanium has a molecular weight of 313.11 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)iodanium is sourced from PubChem (CID 19068687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).