3,5-dibromo-4-(4-nitrophenoxy)phenol

C12H7Br2NO4 — CID 18448751

IUPAC3,5-dibromo-4-(4-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(Oc2c(Br)cc(O)cc2Br)cc1
InChIInChI=1S/C12H7Br2NO4/c13-10-5-8(16)6-11(14)12(10)19-9-3-1-7(2-4-9)15(17)18/h1-6,16H
InChIKeyTVALAOULIVUANX-UHFFFAOYSA-N
MW389.00 g/mol
LogP4.62
Rot. Bonds3

About 3,5-dibromo-4-(4-nitrophenoxy)phenol

3,5-dibromo-4-(4-nitrophenoxy)phenol (PubChem CID 18448751) has the molecular formula C12H7Br2NO4 and a molecular weight of 389.00 g/mol. Its IUPAC name is 3,5-dibromo-4-(4-nitrophenoxy)phenol.

Molecular Properties

Compound Name3,5-dibromo-4-(4-nitrophenoxy)phenol
PubChem CID18448751
Molecular FormulaC12H7Br2NO4
Molecular Weight389.00 g/mol
Exact Mass386.87
IUPAC Name3,5-dibromo-4-(4-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(Oc2c(Br)cc(O)cc2Br)cc1
InChIInChI=1S/C12H7Br2NO4/c13-10-5-8(16)6-11(14)12(10)19-9-3-1-7(2-4-9)15(17)18/h1-6,16H
InChIKeyTVALAOULIVUANX-UHFFFAOYSA-N
XLogP4.62
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.00
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol
CID 171446650
methyl 4-[3,5-dibromo-4-(4-nitrophenoxy)phenyl]butanoate
CID 71425932
2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
CID 166787691
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
CID 164850593
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
4-[4-(4-nitrophenoxy)phenyl]sulfinylphenol
CID 139719117
4-nitrophenol
CID 88714583
methyl 3-[3,5-dibromo-2-fluoro-4-(4-nitrophenoxy)phenyl]propanoate
CID 143574007
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(4-nitrophenoxy)phenol?
The IUPAC name of 3,5-dibromo-4-(4-nitrophenoxy)phenol (CID 18448751) is 3,5-dibromo-4-(4-nitrophenoxy)phenol.
What is the SMILES notation for 3,5-dibromo-4-(4-nitrophenoxy)phenol?
The canonical SMILES for 3,5-dibromo-4-(4-nitrophenoxy)phenol is O=[N+]([O-])c1ccc(Oc2c(Br)cc(O)cc2Br)cc1.
What is the InChIKey of 3,5-dibromo-4-(4-nitrophenoxy)phenol?
The InChIKey is TVALAOULIVUANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO4/c13-10-5-8(16)6-11(14)12(10)19-9-3-1-7(2-4-9)15(17)18/h1-6,16H.
What are the key properties of 3,5-dibromo-4-(4-nitrophenoxy)phenol?
3,5-dibromo-4-(4-nitrophenoxy)phenol has a molecular weight of 389.00 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(4-nitrophenoxy)phenol is sourced from PubChem (CID 18448751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).