2-(4-iodophenoxy)phenol

C12H9IO2 — CID 90870706

IUPAC2-(4-iodophenoxy)phenol
SMILESOc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C12H9IO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H
InChIKeyMOYKBJUNZYVJLP-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-iodophenoxy)phenol

2-(4-iodophenoxy)phenol (PubChem CID 90870706) has the molecular formula C12H9IO2 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-(4-iodophenoxy)phenol.

Molecular Properties

Compound Name2-(4-iodophenoxy)phenol
PubChem CID90870706
Molecular FormulaC12H9IO2
Molecular Weight312.11 g/mol
Exact Mass311.96
IUPAC Name2-(4-iodophenoxy)phenol
SMILESOc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C12H9IO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H
InChIKeyMOYKBJUNZYVJLP-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

2-(4-methoxyphenoxy)phenol
CID 54145402
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
CID 175775609
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
4-(2-hydroxyphenoxy)benzaldehyde
CID 13266147
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
4-(4-iodophenoxy)phenol
CID 12940617
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
N-[4-(2-hydroxyphenoxy)phenyl]formamide
CID 87704092
1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)phenol?
The IUPAC name of 2-(4-iodophenoxy)phenol (CID 90870706) is 2-(4-iodophenoxy)phenol.
What is the SMILES notation for 2-(4-iodophenoxy)phenol?
The canonical SMILES for 2-(4-iodophenoxy)phenol is Oc1ccccc1Oc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)phenol?
The InChIKey is MOYKBJUNZYVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H.
What are the key properties of 2-(4-iodophenoxy)phenol?
2-(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 2-(4-iodophenoxy)phenol is sourced from PubChem (CID 90870706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).