2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol

C18H7Br7O3 — CID 58201830

IUPAC2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol
SMILESOc1c(Br)cc(Oc2c(Br)cc(Oc3c(Br)cc(Br)cc3Br)cc2Br)cc1Br
InChIInChI=1S/C18H7Br7O3/c19-7-1-12(22)17(13(23)2-7)28-9-5-14(24)18(15(25)6-9)27-8-3-10(20)16(26)11(21)4-8/h1-6,26H
InChIKeyUQRKMEJERDRRPL-UHFFFAOYSA-N
MW830.58 g/mol
LogP10.31
Rot. Bonds4

About 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol

2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol (PubChem CID 58201830) has the molecular formula C18H7Br7O3 and a molecular weight of 830.58 g/mol. Its IUPAC name is 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol
PubChem CID58201830
Molecular FormulaC18H7Br7O3
Molecular Weight830.58 g/mol
Exact Mass823.47
IUPAC Name2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol
SMILESOc1c(Br)cc(Oc2c(Br)cc(Oc3c(Br)cc(Br)cc3Br)cc2Br)cc1Br
InChIInChI=1S/C18H7Br7O3/c19-7-1-12(22)17(13(23)2-7)28-9-5-14(24)18(15(25)6-9)27-8-3-10(20)16(26)11(21)4-8/h1-6,26H
InChIKeyUQRKMEJERDRRPL-UHFFFAOYSA-N
XLogP10.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.58
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene
CID 86208551
[3,5-dibromo-4-(3,5-dibromo-4-hydroxyphenoxy)phenyl] propanoate
CID 90950258
2,4-dibromo-6-(2,6-dibromophenoxy)phenol
CID 125360388
2,5-dibromo-4-(2,4,6-tribromophenoxy)phenol
CID 102420969
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
3,5,7-tribromo-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 632205
3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol
CID 102102664
2-amino-4,6-dibromophenol;hydrochloride
CID 3063405
1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
CID 138377093
2,3,5-tribromo-4-chloro-6-(3,5-dibromo-2-methoxyphenoxy)phenol
CID 133052539
2,6-dibromo-4-[(E)-2-(3,5-dibromophenyl)ethenyl]phenol
CID 45257698
deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
CID 163588107

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol?
The IUPAC name of 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol (CID 58201830) is 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol?
The canonical SMILES for 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol is Oc1c(Br)cc(Oc2c(Br)cc(Oc3c(Br)cc(Br)cc3Br)cc2Br)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol?
The InChIKey is UQRKMEJERDRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Br7O3/c19-7-1-12(22)17(13(23)2-7)28-9-5-14(24)18(15(25)6-9)27-8-3-10(20)16(26)11(21)4-8/h1-6,26H.
What are the key properties of 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol?
2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol has a molecular weight of 830.58 g/mol, XLogP of 10.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol is sourced from PubChem (CID 58201830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).