4-bromo-2-iodophenol;4-bromophenol

C12H9Br2IO2 — CID 70001852

IUPAC4-bromo-2-iodophenol;4-bromophenol
SMILESOc1ccc(Br)cc1.Oc1ccc(Br)cc1I
InChIInChI=1S/C6H4BrIO.C6H5BrO/c7-4-1-2-6(9)5(8)3-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H
InChIKeyYXYUUOLYEJCZFQ-UHFFFAOYSA-N
MW471.91 g/mol
LogP4.91
Rot. Bonds

About 4-bromo-2-iodophenol;4-bromophenol

4-bromo-2-iodophenol;4-bromophenol (PubChem CID 70001852) has the molecular formula C12H9Br2IO2 and a molecular weight of 471.91 g/mol. Its IUPAC name is 4-bromo-2-iodophenol;4-bromophenol.

Molecular Properties

Compound Name4-bromo-2-iodophenol;4-bromophenol
PubChem CID70001852
Molecular FormulaC12H9Br2IO2
Molecular Weight471.91 g/mol
Exact Mass469.80
IUPAC Name4-bromo-2-iodophenol;4-bromophenol
SMILESOc1ccc(Br)cc1.Oc1ccc(Br)cc1I
InChIInChI=1S/C6H4BrIO.C6H5BrO/c7-4-1-2-6(9)5(8)3-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H
InChIKeyYXYUUOLYEJCZFQ-UHFFFAOYSA-N
XLogP4.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.91
LogP ≤ 54.91
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

2-amino-4-bromophenol;bis(4-bromophenol)
CID 67677051
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
4-bromo-2-(5-bromo-2-methylphenyl)phenol
CID 170237414
4-bromophenol;propan-2-one
CID 159519673
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
CID 159686938
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol;methane
CID 159686937
4-(2,5-dibromophenyl)phenol
CID 86165332
2,4-dibromophenol;methanol
CID 174690931
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
4-bromo-1-fluoro-2-iodobenzene
CID 2782750
4-[(4-bromophenyl)-hydroxymethyl]phenol
CID 146871813
2-iodophenol;4-iodophenol
CID 67440889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodophenol;4-bromophenol?
The IUPAC name of 4-bromo-2-iodophenol;4-bromophenol (CID 70001852) is 4-bromo-2-iodophenol;4-bromophenol.
What is the SMILES notation for 4-bromo-2-iodophenol;4-bromophenol?
The canonical SMILES for 4-bromo-2-iodophenol;4-bromophenol is Oc1ccc(Br)cc1.Oc1ccc(Br)cc1I.
What is the InChIKey of 4-bromo-2-iodophenol;4-bromophenol?
The InChIKey is YXYUUOLYEJCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrIO.C6H5BrO/c7-4-1-2-6(9)5(8)3-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H.
What are the key properties of 4-bromo-2-iodophenol;4-bromophenol?
4-bromo-2-iodophenol;4-bromophenol has a molecular weight of 471.91 g/mol, XLogP of 4.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodophenol;4-bromophenol is sourced from PubChem (CID 70001852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).