2-bromo-4-(3-bromo-4-hydroxyanilino)phenol

C12H9Br2NO2 — CID 11653374

IUPAC2-bromo-4-(3-bromo-4-hydroxyanilino)phenol
SMILESOc1ccc(Nc2ccc(O)c(Br)c2)cc1Br
InChIInChI=1S/C12H9Br2NO2/c13-9-5-7(1-3-11(9)16)15-8-2-4-12(17)10(14)6-8/h1-6,15-17H
InChIKeyWARKHZPKLIUHRV-UHFFFAOYSA-N
MW359.02 g/mol
LogP4.37
Rot. Bonds2

About 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol

2-bromo-4-(3-bromo-4-hydroxyanilino)phenol (PubChem CID 11653374) has the molecular formula C12H9Br2NO2 and a molecular weight of 359.02 g/mol. Its IUPAC name is 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol.

Molecular Properties

Compound Name2-bromo-4-(3-bromo-4-hydroxyanilino)phenol
PubChem CID11653374
Molecular FormulaC12H9Br2NO2
Molecular Weight359.02 g/mol
Exact Mass356.90
IUPAC Name2-bromo-4-(3-bromo-4-hydroxyanilino)phenol
SMILESOc1ccc(Nc2ccc(O)c(Br)c2)cc1Br
InChIInChI=1S/C12H9Br2NO2/c13-9-5-7(1-3-11(9)16)15-8-2-4-12(17)10(14)6-8/h1-6,15-17H
InChIKeyWARKHZPKLIUHRV-UHFFFAOYSA-N
XLogP4.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679
4-(4-hydroxy-3-methylanilino)-2-methylphenol
CID 67263150
4-[[6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]-2-bromophenol
CID 23863723
4-(3,5-dimethylanilino)-2-methylphenol
CID 166451978
2,4-dibromophenol;methanol
CID 174690931
2-bromo-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenol
CID 54042004
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
4-anilino-2,6-dibromophenol
CID 25129835
4-[(2-amino-4-bromophenoxy)amino]-2-bromophenol
CID 170073513
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol?
The IUPAC name of 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol (CID 11653374) is 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol.
What is the SMILES notation for 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol?
The canonical SMILES for 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol is Oc1ccc(Nc2ccc(O)c(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol?
The InChIKey is WARKHZPKLIUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2/c13-9-5-7(1-3-11(9)16)15-8-2-4-12(17)10(14)6-8/h1-6,15-17H.
What are the key properties of 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol?
2-bromo-4-(3-bromo-4-hydroxyanilino)phenol has a molecular weight of 359.02 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromo-4-hydroxyanilino)phenol is sourced from PubChem (CID 11653374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).