3-(3-bromophenoxy)-2-iodophenol

C12H8BrIO2 — CID 173228973

IUPAC3-(3-bromophenoxy)-2-iodophenol
SMILESOc1cccc(Oc2cccc(Br)c2)c1I
InChIInChI=1S/C12H8BrIO2/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15)12(11)14/h1-7,15H
InChIKeyALJMOMHZZZDLKP-UHFFFAOYSA-N
MW391.00 g/mol
LogP4.55
Rot. Bonds2

About 3-(3-bromophenoxy)-2-iodophenol

3-(3-bromophenoxy)-2-iodophenol (PubChem CID 173228973) has the molecular formula C12H8BrIO2 and a molecular weight of 391.00 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2-iodophenol.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2-iodophenol
PubChem CID173228973
Molecular FormulaC12H8BrIO2
Molecular Weight391.00 g/mol
Exact Mass389.88
IUPAC Name3-(3-bromophenoxy)-2-iodophenol
SMILESOc1cccc(Oc2cccc(Br)c2)c1I
InChIInChI=1S/C12H8BrIO2/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15)12(11)14/h1-7,15H
InChIKeyALJMOMHZZZDLKP-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.00
LogP ≤ 54.55
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-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
2-(3-bromophenoxy)benzonitrile
CID 28602353
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2-iodophenol?
The IUPAC name of 3-(3-bromophenoxy)-2-iodophenol (CID 173228973) is 3-(3-bromophenoxy)-2-iodophenol.
What is the SMILES notation for 3-(3-bromophenoxy)-2-iodophenol?
The canonical SMILES for 3-(3-bromophenoxy)-2-iodophenol is Oc1cccc(Oc2cccc(Br)c2)c1I.
What is the InChIKey of 3-(3-bromophenoxy)-2-iodophenol?
The InChIKey is ALJMOMHZZZDLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIO2/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15)12(11)14/h1-7,15H.
What are the key properties of 3-(3-bromophenoxy)-2-iodophenol?
3-(3-bromophenoxy)-2-iodophenol has a molecular weight of 391.00 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2-iodophenol is sourced from PubChem (CID 173228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).