2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol

C18H11Br4O3P — CID 54039052

IUPAC2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
SMILESO=P(c1ccccc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C18H11Br4O3P/c19-13-6-11(7-14(20)17(13)23)26(25,10-4-2-1-3-5-10)12-8-15(21)18(24)16(22)9-12/h1-9,23-24H
InChIKeyLLARTCSTTUKQSG-UHFFFAOYSA-N
MW625.87 g/mol
LogP5.79
Rot. Bonds3

About 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol

2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol (PubChem CID 54039052) has the molecular formula C18H11Br4O3P and a molecular weight of 625.87 g/mol. Its IUPAC name is 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
PubChem CID54039052
Molecular FormulaC18H11Br4O3P
Molecular Weight625.87 g/mol
Exact Mass621.72
IUPAC Name2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
SMILESO=P(c1ccccc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C18H11Br4O3P/c19-13-6-11(7-14(20)17(13)23)26(25,10-4-2-1-3-5-10)12-8-15(21)18(24)16(22)9-12/h1-9,23-24H
InChIKeyLLARTCSTTUKQSG-UHFFFAOYSA-N
XLogP5.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.87
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenylphosphorylbenzene;terbium
CID 86595283
1-[[3,5-bis(diphenylphosphoryl)phenyl]methyl]-3,5-bis(diphenylphosphoryl)benzene
CID 58298983
4-anilino-2,6-dibromophenol
CID 25129835
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
2-diphenylphosphorylphenol
CID 626229
4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene
CID 10819193
[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane
CID 88865130
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
4-bis(4-phenoxyphenyl)phosphorylphenol
CID 22491596
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol?
The IUPAC name of 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol (CID 54039052) is 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol is O=P(c1ccccc1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol?
The InChIKey is LLARTCSTTUKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br4O3P/c19-13-6-11(7-14(20)17(13)23)26(25,10-4-2-1-3-5-10)12-8-15(21)18(24)16(22)9-12/h1-9,23-24H.
What are the key properties of 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol?
2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol has a molecular weight of 625.87 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol is sourced from PubChem (CID 54039052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).