4-(4-iodophenoxy)phenol

C12H9IO2 — CID 12940617

IUPAC4-(4-iodophenoxy)phenol
SMILESOc1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9IO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKeySEUYXXCZJLHQTO-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-iodophenoxy)phenol

4-(4-iodophenoxy)phenol (PubChem CID 12940617) has the molecular formula C12H9IO2 and a molecular weight of 312.11 g/mol. Its IUPAC name is 4-(4-iodophenoxy)phenol.

Molecular Properties

Compound Name4-(4-iodophenoxy)phenol
PubChem CID12940617
Molecular FormulaC12H9IO2
Molecular Weight312.11 g/mol
Exact Mass311.96
IUPAC Name4-(4-iodophenoxy)phenol
SMILESOc1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9IO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKeySEUYXXCZJLHQTO-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.79
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

1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
iodo-[4-(4-iodophenoxy)phenyl]borinic acid
CID 143940889
2-(4-iodophenoxy)phenol
CID 90870706
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
1-(bromomethyl)-4-(4-iodophenoxy)benzene
CID 107087514
4-[4-(sulfanylamino)phenoxy]phenol
CID 142074984

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)phenol?
The IUPAC name of 4-(4-iodophenoxy)phenol (CID 12940617) is 4-(4-iodophenoxy)phenol.
What is the SMILES notation for 4-(4-iodophenoxy)phenol?
The canonical SMILES for 4-(4-iodophenoxy)phenol is Oc1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of 4-(4-iodophenoxy)phenol?
The InChIKey is SEUYXXCZJLHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H.
What are the key properties of 4-(4-iodophenoxy)phenol?
4-(4-iodophenoxy)phenol has a molecular weight of 312.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)phenol is sourced from PubChem (CID 12940617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).