2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)phenol

• ChemBase ID: 202873
• Molecular Formular: C12H6Br4O2
• Molecular Mass: 501.79084
• Monoisotopic Mass: 497.71012743
• SMILES: c1(c(cc(c2cc(c(c(c2)Br)O)Br)cc1Br)Br)O
• Canonical SMILES: Brc1cc(cc(c1O)Br)c1cc(Br)c(c(c1)Br)O
• InChI: InChI=1S/C12H6Br4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
• InChIKey: IEAGIQDVKKVLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)phenol
• IUPAC Traditional name: 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)phenol

Database IDs

• PubChem SID: 164258783
• PubChem CID: 3090409

CALCULATED PROPERTIES

• Acid pKa: 6.406775
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.0367913
• LogD (pH = 7.4): 4.6295195
• Log P: 6.0883512
• Molar Refractivity: 85.6472 cm^3
• Polarizability: 34.292522 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds