2,6-dibromo-4-phenoxyphenol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.

Bromodiphenyl ethers

Organic compounds

Benzenoids

Benzene and substituted derivatives

Diphenylethers

Calculated Property

kind Value Source
logP 4.76 ALOGPS
logS -4.6 ALOGPS
Water Solubility 8.17e-03 g/l ALOGPS
logP 4.71 ChemAxon
IUPAC Name 2,6-dibromo-4-phenoxyphenol ChemAxon
Traditional IUPAC Name 2,6-dibromo-4-phenoxyphenol ChemAxon
Molecular Weight 343.999 ChemAxon
Monoisotopic Weight 341.889104794 ChemAxon
SMILES OC1=C(Br)C=C(OC2=CC=CC=C2)C=C1Br ChemAxon
Molecular Formula C12H8Br2O2 ChemAxon
InChI InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H ChemAxon
InChIKey InChIKey=CRSZEDOZGJPOHP-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 29.46 ChemAxon
Refractivity 69.53 ChemAxon
Polarizability 26.03 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.96 ChemAxon
pKa (strongest basic) -7.3 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon