4-(2-phenylethenyl)phenol

• ChemBase ID: 110108
• Molecular Formular: C14H12O
• Molecular Mass: 196.24448
• Monoisotopic Mass: 196.088815
• SMILES: Oc1ccc(cc1)/C=C/c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H
• InChIKey: QVLMUEOXQBUPAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethenyl)phenol
• IUPAC Traditional name: trans-4-hydroxystilbene
• Synonyms: p-HYDROXYSTILBENE

Database IDs

• CAS Number: 6554-98-9
• EC Number: 229-483-8
• PubChem SID: 162095400
• PubChem CID: 5284650

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 4.009478
• LogD (pH = 7.4): 4.0060806
• Log P: 4.0095215
• Molar Refractivity: 63.4937 cm^3
• Polarizability: 24.189837 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 9.496849
• H Acceptors: 1