2-iodo-4-phenoxyphenol

C12H9IO2 — CID 10710201

IUPAC2-iodo-4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1I
InChIInChI=1S/C12H9IO2/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8,14H
InChIKeyKEXDEHPUIIAITA-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.79
Rot. Bonds2

About 2-iodo-4-phenoxyphenol

2-iodo-4-phenoxyphenol (PubChem CID 10710201) has the molecular formula C12H9IO2 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-iodo-4-phenoxyphenol.

Molecular Properties

Compound Name2-iodo-4-phenoxyphenol
PubChem CID10710201
Molecular FormulaC12H9IO2
Molecular Weight312.11 g/mol
Exact Mass311.96
IUPAC Name2-iodo-4-phenoxyphenol
SMILESOc1ccc(Oc2ccccc2)cc1I
InChIInChI=1S/C12H9IO2/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8,14H
InChIKeyKEXDEHPUIIAITA-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-methyl-4-phenoxyphenol
CID 23089676
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
5-phenoxybenzene-1,2,3-triol
CID 14020516
2-nitro-4-phenoxyphenol
CID 10775849
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
N',2-dihydroxy-5-phenoxybenzenecarboximidamide
CID 136821696
2-amino-4-(4-phenylphenoxy)phenol
CID 141458116
2-[2-(methylamino)ethyl]-4-phenoxyphenol
CID 82552120
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
potassium phenoxybenzene
CID 19858586

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-phenoxyphenol?
The IUPAC name of 2-iodo-4-phenoxyphenol (CID 10710201) is 2-iodo-4-phenoxyphenol.
What is the SMILES notation for 2-iodo-4-phenoxyphenol?
The canonical SMILES for 2-iodo-4-phenoxyphenol is Oc1ccc(Oc2ccccc2)cc1I.
What is the InChIKey of 2-iodo-4-phenoxyphenol?
The InChIKey is KEXDEHPUIIAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO2/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-iodo-4-phenoxyphenol?
2-iodo-4-phenoxyphenol 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-iodo-4-phenoxyphenol is sourced from PubChem (CID 10710201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).