2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane

C18H20Br4O2 — CID 161440425

IUPAC2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCC
InChIInChI=1S/C15H12Br4O2.C3H8/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-3-2/h3-6,20-21H,1-2H3;3H2,1-2H3
InChIKeyVZEUMCFYHSMTOD-UHFFFAOYSA-N
MW587.97 g/mol
LogP7.89
Rot. Bonds2

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

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane (PubChem CID 161440425) has the molecular formula C18H20Br4O2 and a molecular weight of 587.97 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
PubChem CID161440425
Molecular FormulaC18H20Br4O2
Molecular Weight587.97 g/mol
Exact Mass583.82
IUPAC Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCC
InChIInChI=1S/C15H12Br4O2.C3H8/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-3-2/h3-6,20-21H,1-2H3;3H2,1-2H3
InChIKeyVZEUMCFYHSMTOD-UHFFFAOYSA-N
XLogP7.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.97
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;bis(guanidine)
CID 6454101
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol
CID 70233628
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-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
CID 86053223
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;tris(2-(phenoxymethyl)oxirane);propane;2,4,6-tribromophenol
CID 157133454
2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
CID 22118042
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol
CID 162345229
disodium;2,6-dibromo-4-[2-(3,5-dibromo-4-oxidophenyl)propan-2-yl]phenolate
CID 90473794
2,6-dibromo-4-[2-(3,5-dibromo-4-sulfophenyl)propan-2-yl]benzenesulfonic acid
CID 88790950
CID 158661910
CID 158661910
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane?
The IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane (CID 161440425) is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane.
What is the SMILES notation for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane?
The canonical SMILES for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCC.
What is the InChIKey of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane?
The InChIKey is VZEUMCFYHSMTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O2.C3H8/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-3-2/h3-6,20-21H,1-2H3;3H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane?
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane has a molecular weight of 587.97 g/mol, XLogP of 7.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane is sourced from PubChem (CID 161440425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).