4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol

C35H18Br10F6O5 — CID 88503138

IUPAC4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(c1cc(Br)c(O)c(Br)c1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.Oc1ccc(C(c2c(Br)c(Br)c(O)c(Br)c2Br)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H12Br6O3.C15H6Br4F6O2/c1-20(8-2-11(21)17(27)12(22)3-8,9-4-13(23)18(28)14(24)5-9)10-6-15(25)19(29)16(26)7-10;16-8-7(9(17)11(19)12(27)10(8)18)13(14(20,21)22,15(23,24)25)5-1-3-6(26)4-2-5/h2-7,27-29H,1H3;1-4,26-27H
InChIKeyMIWGLBVPGKGJGL-UHFFFAOYSA-N
MW1431.55 g/mol
LogP16.29
Rot. Bonds5

About 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol

4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 88503138) has the molecular formula C35H18Br10F6O5 and a molecular weight of 1431.55 g/mol. Its IUPAC name is 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID88503138
Molecular FormulaC35H18Br10F6O5
Molecular Weight1431.55 g/mol
Exact Mass1421.29
IUPAC Name4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(c1cc(Br)c(O)c(Br)c1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.Oc1ccc(C(c2c(Br)c(Br)c(O)c(Br)c2Br)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H12Br6O3.C15H6Br4F6O2/c1-20(8-2-11(21)17(27)12(22)3-8,9-4-13(23)18(28)14(24)5-9)10-6-15(25)19(29)16(26)7-10;16-8-7(9(17)11(19)12(27)10(8)18)13(14(20,21)22,15(23,24)25)5-1-3-6(26)4-2-5/h2-7,27-29H,1H3;1-4,26-27H
InChIKeyMIWGLBVPGKGJGL-UHFFFAOYSA-N
XLogP16.29
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.55
LogP ≤ 516.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 88503138) is 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(c1cc(Br)c(O)c(Br)c1)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.Oc1ccc(C(c2c(Br)c(Br)c(O)c(Br)c2Br)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is MIWGLBVPGKGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br6O3.C15H6Br4F6O2/c1-20(8-2-11(21)17(27)12(22)3-8,9-4-13(23)18(28)14(24)5-9)10-6-15(25)19(29)16(26)7-10;16-8-7(9(17)11(19)12(27)10(8)18)13(14(20,21)22,15(23,24)25)5-1-3-6(26)4-2-5/h2-7,27-29H,1H3;1-4,26-27H.
What are the key properties of 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 1431.55 g/mol, XLogP of 16.29, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(3,5-dibromo-4-hydroxyphenyl)ethyl]-2,6-dibromophenol;2,3,5,6-tetrabromo-4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 88503138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).