4-anilino-2,6-dibromophenol

C12H9Br2NO — CID 25129835

IUPAC4-anilino-2,6-dibromophenol
SMILESOc1c(Br)cc(Nc2ccccc2)cc1Br
InChIInChI=1S/C12H9Br2NO/c13-10-6-9(7-11(14)12(10)16)15-8-4-2-1-3-5-8/h1-7,15-16H
InChIKeyUGRUGSDBTFHEOW-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.66
Rot. Bonds2

About 4-anilino-2,6-dibromophenol

4-anilino-2,6-dibromophenol (PubChem CID 25129835) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 4-anilino-2,6-dibromophenol.

Molecular Properties

Compound Name4-anilino-2,6-dibromophenol
PubChem CID25129835
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name4-anilino-2,6-dibromophenol
SMILESOc1c(Br)cc(Nc2ccccc2)cc1Br
InChIInChI=1S/C12H9Br2NO/c13-10-6-9(7-11(14)12(10)16)15-8-4-2-1-3-5-8/h1-7,15-16H
InChIKeyUGRUGSDBTFHEOW-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-anilino-2,6-dimethylphenol
CID 25129480
CID 175904297
CID 175904297
azane;N-phenylaniline
CID 67074378
3-bromo-N-phenylaniline
CID 14958606
4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
hydrazine;N-phenylaniline
CID 159755629
2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
CID 54039052
2-bromo-4-(3-bromo-4-hydroxyanilino)phenol
CID 11653374
3-methoxy-5-methyl-N-phenylaniline
CID 139833752
dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,6-dibromophenol?
The IUPAC name of 4-anilino-2,6-dibromophenol (CID 25129835) is 4-anilino-2,6-dibromophenol.
What is the SMILES notation for 4-anilino-2,6-dibromophenol?
The canonical SMILES for 4-anilino-2,6-dibromophenol is Oc1c(Br)cc(Nc2ccccc2)cc1Br.
What is the InChIKey of 4-anilino-2,6-dibromophenol?
The InChIKey is UGRUGSDBTFHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c13-10-6-9(7-11(14)12(10)16)15-8-4-2-1-3-5-8/h1-7,15-16H.
What are the key properties of 4-anilino-2,6-dibromophenol?
4-anilino-2,6-dibromophenol has a molecular weight of 343.02 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,6-dibromophenol is sourced from PubChem (CID 25129835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).