2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl

C12H6Br4O2 — CID 30891

IUPAC2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol
SMILESC1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChIInChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChIKeyTXODBIOSWNNKJM-UHFFFAOYSA-N
MW501.79 g/mol
LogP5.60
Rot. Bonds1

About 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl

2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl (PubChem CID 30891) has the molecular formula C12H6Br4O2 and a molecular weight of 501.79 g/mol. Its IUPAC name is 2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl
PubChem CID30891
Molecular FormulaC12H6Br4O2
Molecular Weight501.79 g/mol
Exact Mass501.71
IUPAC Name2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol
SMILESC1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChIInChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChIKeyTXODBIOSWNNKJM-UHFFFAOYSA-N
XLogP5.60
TPSA40.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity263

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.79
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrabromobisphenol A
CID 6618
Tribromobisphenol A
CID 80801
Bromofenofos
CID 30652
2,6-Dibromo-4-phenylphenol
CID 243556
2-Bromo-4-phenylphenol
CID 27297
4,4',6-Tribromo-2,2'-Biphenol
CID 50899959
2,4-Dibromo-6-methylphenol
CID 11861
2,2'-Methylenebis[4,6-dibromophenol]
CID 93833
2,2'-Methylenebis(4-bromophenol)
CID 3061033
2,6-dibromo-4-((E)-2-phenylethenyl)phenol
CID 25129137
4,4'-Methylenebis[2,6-dibromophenol]
CID 89069
2-Allyl-4-bromophenol
CID 258468

Frequently Asked Questions

What is the IUPAC name of 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl?
The IUPAC name of 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl (CID 30891) is 2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol.
What is the SMILES notation for 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl?
The canonical SMILES for 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl is C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br.
What is the InChIKey of 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl?
The InChIKey is TXODBIOSWNNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H.
What are the key properties of 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl?
2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl has a molecular weight of 501.79 g/mol, XLogP of 5.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl is sourced from PubChem (CID 30891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).