2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol

C15H12Br4O3 — CID 162345229

IUPAC2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol
SMILESCC(C)(Oc1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br4O3/c1-15(2,7-3-9(16)13(20)10(17)4-7)22-8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKeyJGGCLXCWQIGJLY-UHFFFAOYSA-N
MW559.87 g/mol
LogP6.46
Rot. Bonds3

About 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol (PubChem CID 162345229) has the molecular formula C15H12Br4O3 and a molecular weight of 559.87 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol
PubChem CID162345229
Molecular FormulaC15H12Br4O3
Molecular Weight559.87 g/mol
Exact Mass555.75
IUPAC Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol
SMILESCC(C)(Oc1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br4O3/c1-15(2,7-3-9(16)13(20)10(17)4-7)22-8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKeyJGGCLXCWQIGJLY-UHFFFAOYSA-N
XLogP6.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.87
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425
2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
CID 22118042
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;bis(guanidine)
CID 6454101
1,3-bis[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenoxy]propan-2-yl]phenoxy]propan-2-ol
CID 22603481
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
CID 158661910
CID 158661910
2-bromo-6-tert-butyl-4-(1,1-dimethoxyethyl)phenol
CID 86650814
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
CID 164990435
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
CID 86053223

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol (CID 162345229) is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol is CC(C)(Oc1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol?
The InChIKey is JGGCLXCWQIGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O3/c1-15(2,7-3-9(16)13(20)10(17)4-7)22-8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol?
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol has a molecular weight of 559.87 g/mol, XLogP of 6.46, 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-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol is sourced from PubChem (CID 162345229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).