2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol

C14H10Br4O2 — CID 90998864

IUPAC2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(Br)c(O)c1Br)c1ccc(Br)c(O)c1Br
InChIInChI=1S/C14H10Br4O2/c1-6(7-2-4-9(15)13(19)11(7)17)8-3-5-10(16)14(20)12(8)18/h2-6,19-20H,1H3
InChIKeyMVLBFDZLLGNUHG-UHFFFAOYSA-N
MW529.85 g/mol
LogP6.30
Rot. Bonds2

About 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol

2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol (PubChem CID 90998864) has the molecular formula C14H10Br4O2 and a molecular weight of 529.85 g/mol. Its IUPAC name is 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
PubChem CID90998864
Molecular FormulaC14H10Br4O2
Molecular Weight529.85 g/mol
Exact Mass525.74
IUPAC Name2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(Br)c(O)c1Br)c1ccc(Br)c(O)c1Br
InChIInChI=1S/C14H10Br4O2/c1-6(7-2-4-9(15)13(19)11(7)17)8-3-5-10(16)14(20)12(8)18/h2-6,19-20H,1H3
InChIKeyMVLBFDZLLGNUHG-UHFFFAOYSA-N
XLogP6.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.85
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol
CID 68837295
2-bromo-3-(1-hydroxyethyl)-6-methylphenol
CID 117333512
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
2-bromo-6-propan-2-ylphenol
CID 14663965
2,4-dibromo-3-hydroxybenzoic acid
CID 14851210
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162
2,6-dibromo-3-phenoxyphenol
CID 102457047
2-(3-bromo-2-hydroxy-6-methylphenyl)-3-methylbutanoic acid
CID 84813995
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol (CID 90998864) is 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol is CC(c1ccc(Br)c(O)c1Br)c1ccc(Br)c(O)c1Br.
What is the InChIKey of 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol?
The InChIKey is MVLBFDZLLGNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O2/c1-6(7-2-4-9(15)13(19)11(7)17)8-3-5-10(16)14(20)12(8)18/h2-6,19-20H,1H3.
What are the key properties of 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol?
2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol has a molecular weight of 529.85 g/mol, XLogP of 6.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 90998864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).