[(1e)-4-Phenylbut-1-Enyl]Benzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.

Phenylpropenes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylpropenes

Calculated Property

kind Value Source
logP 5.49 ALOGPS
logS -5.8 ALOGPS
Water Solubility 3.09e-04 g/l ALOGPS
logP 5.12 ChemAxon
IUPAC Name [(3E)-4-phenylbut-3-en-1-yl]benzene ChemAxon
Traditional IUPAC Name [(3E)-4-phenylbut-3-en-1-yl]benzene ChemAxon
Molecular Weight 208.2982 ChemAxon
Monoisotopic Weight 208.125200512 ChemAxon
SMILES C(CC1=CC=CC=C1)C=CC1=CC=CC=C1 ChemAxon
Molecular Formula C16H16 ChemAxon
InChI InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+ ChemAxon
InChIKey InChIKey=NJJOGKAVAWZLAU-NTUHNPAUSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 70.71 ChemAxon
Polarizability 25.46 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 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

Target within organism

  • Amine oxidase [flavin-containing] B : in Human