2,6-dimethyl-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 4.71 ALOGPS
logS -4.7 ALOGPS
Water Solubility 4.29e-03 g/l ALOGPS
logP 5.04 ChemAxon
IUPAC Name 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol ChemAxon
Traditional IUPAC Name 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol ChemAxon
Molecular Weight 224.2976 ChemAxon
Monoisotopic Weight 224.120115134 ChemAxon
SMILES CC1=CC(C=CC2=CC=CC=C2)=CC(C)=C1O ChemAxon
Molecular Formula C16H16O ChemAxon
InChI InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+ ChemAxon
InChIKey InChIKey=PAHKYLUYTGBFNW-CMDGGOBGSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 73.58 ChemAxon
Polarizability 26.85 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 10.22 ChemAxon
pKa (strongest basic) -5.9 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon