2,6-dibromo-4-[(E)-2-phenylethenyl]phenol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Stilbenes

Organic compounds

Phenylpropanoids and polyketides

Stilbenes

Calculated Property

kind Value Source
logP 5.57 ALOGPS
logS -5.8 ALOGPS
Water Solubility 5.90e-04 g/l ALOGPS
logP 5.55 ChemAxon
IUPAC Name 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol ChemAxon
Traditional IUPAC Name 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol ChemAxon
Molecular Weight 354.037 ChemAxon
Monoisotopic Weight 351.909840236 ChemAxon
SMILES OC1=C(Br)C=C(C=CC2=CC=CC=C2)C=C1Br ChemAxon
Molecular Formula C14H10Br2O ChemAxon
InChI InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+ ChemAxon
InChIKey InChIKey=WMVYUPRIADVLTH-VOTSOKGWSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 78.74 ChemAxon
Polarizability 29.48 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.78 ChemAxon
pKa (strongest basic) -7.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon