1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine

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 2.01 ALOGPS
logS -3.4 ALOGPS
Water Solubility 9.50e-02 g/l ALOGPS
logP 2.34 ChemAxon
IUPAC Name 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine ChemAxon
Traditional IUPAC Name 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine ChemAxon
Molecular Weight 253.2991 ChemAxon
Monoisotopic Weight 253.121512117 ChemAxon
SMILES NC(=N)NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1 ChemAxon
Molecular Formula C15H15N3O ChemAxon
InChI InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18) ChemAxon
InChIKey InChIKey=MERNPSIIBFTCAI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 78.97 ChemAxon
Refractivity 87.32 ChemAxon
Polarizability 27.01 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 16.49 ChemAxon
pKa (strongest basic) 10.27 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

Target within organism

  • Urokinase-type plasminogen activator : in Human