2-bromo-5-(2,4-dibromophenoxy)phenol

C12H7Br3O2 — CID 11015373

IUPAC2-bromo-5-(2,4-dibromophenoxy)phenol
SMILESOc1cc(Oc2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C12H7Br3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-9(14)11(16)6-8/h1-6,16H
InChIKeyNATAVEHSIYVLEC-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.47
Rot. Bonds2

About 2-bromo-5-(2,4-dibromophenoxy)phenol

2-bromo-5-(2,4-dibromophenoxy)phenol (PubChem CID 11015373) has the molecular formula C12H7Br3O2 and a molecular weight of 422.90 g/mol. Its IUPAC name is 2-bromo-5-(2,4-dibromophenoxy)phenol.

Molecular Properties

Compound Name2-bromo-5-(2,4-dibromophenoxy)phenol
PubChem CID11015373
Molecular FormulaC12H7Br3O2
Molecular Weight422.90 g/mol
Exact Mass419.80
IUPAC Name2-bromo-5-(2,4-dibromophenoxy)phenol
SMILESOc1cc(Oc2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C12H7Br3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-9(14)11(16)6-8/h1-6,16H
InChIKeyNATAVEHSIYVLEC-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol
CID 18930859
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
2,4-dibromo-3-(2,4-dibromophenoxy)phenol
CID 139597677
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
CID 102140384
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
CID 64720895
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,4-dibromophenoxy)phenol?
The IUPAC name of 2-bromo-5-(2,4-dibromophenoxy)phenol (CID 11015373) is 2-bromo-5-(2,4-dibromophenoxy)phenol.
What is the SMILES notation for 2-bromo-5-(2,4-dibromophenoxy)phenol?
The canonical SMILES for 2-bromo-5-(2,4-dibromophenoxy)phenol is Oc1cc(Oc2ccc(Br)cc2Br)ccc1Br.
What is the InChIKey of 2-bromo-5-(2,4-dibromophenoxy)phenol?
The InChIKey is NATAVEHSIYVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-9(14)11(16)6-8/h1-6,16H.
What are the key properties of 2-bromo-5-(2,4-dibromophenoxy)phenol?
2-bromo-5-(2,4-dibromophenoxy)phenol has a molecular weight of 422.90 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,4-dibromophenoxy)phenol is sourced from PubChem (CID 11015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).