2-[(E)-2-phenylethenyl]phenol

• ChemBase ID: 39714
• Molecular Formular: C14H12O
• Molecular Mass: 196.24448
• Monoisotopic Mass: 196.088815
• SMILES: C(=C\c1ccccc1)/c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1/C=C/c1ccccc1
• InChI: InChI=1S/C14H12O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+
• InChIKey: AYPZAZPOYROADP-ZHACJKMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-phenylethenyl]phenol
• IUPAC Traditional name: 2-[(E)-2-phenylethenyl]phenol
• Synonyms: 2-Styrylbenzenol

Database IDs

• CAS Number: 18493-15-7
• MDL Number: MFCD00155163
• PubChem SID: 161003021
• PubChem CID: 5704879

CALCULATED PROPERTIES

• Acid pKa: 9.327935
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0094576
• LogD (pH = 7.4): 4.004455
• Log P: 4.0095215
• Molar Refractivity: 63.4937 cm^3
• Polarizability: 24.192173 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146 °C; 144-146°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%