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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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).