2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol

C13H8Br2Cl2O2 — CID 22281161

IUPAC2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol
SMILESOc1cc(Cc2cc(O)c(Br)cc2Cl)c(Cl)cc1Br
InChIInChI=1S/C13H8Br2Cl2O2/c14-8-4-10(16)6(2-12(8)18)1-7-3-13(19)9(15)5-11(7)17/h2-5,18-19H,1H2
InChIKeyUJGMYVHWXIDYRK-UHFFFAOYSA-N
MW426.92 g/mol
LogP5.52
Rot. Bonds2

About 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol

2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol (PubChem CID 22281161) has the molecular formula C13H8Br2Cl2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol
PubChem CID22281161
Molecular FormulaC13H8Br2Cl2O2
Molecular Weight426.92 g/mol
Exact Mass423.83
IUPAC Name2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol
SMILESOc1cc(Cc2cc(O)c(Br)cc2Cl)c(Cl)cc1Br
InChIInChI=1S/C13H8Br2Cl2O2/c14-8-4-10(16)6(2-12(8)18)1-7-3-13(19)9(15)5-11(7)17/h2-5,18-19H,1H2
InChIKeyUJGMYVHWXIDYRK-UHFFFAOYSA-N
XLogP5.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol?
The IUPAC name of 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol (CID 22281161) is 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol.
What is the SMILES notation for 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol?
The canonical SMILES for 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol is Oc1cc(Cc2cc(O)c(Br)cc2Cl)c(Cl)cc1Br.
What is the InChIKey of 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol?
The InChIKey is UJGMYVHWXIDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2O2/c14-8-4-10(16)6(2-12(8)18)1-7-3-13(19)9(15)5-11(7)17/h2-5,18-19H,1H2.
What are the key properties of 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol?
2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol has a molecular weight of 426.92 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol is sourced from PubChem (CID 22281161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).