4-phenylphenyl 2-methylprop-2-enoate

• ChemBase ID: 812948
• Molecular Formular: C16H14O2
• Molecular Mass: 238.28116
• Monoisotopic Mass: 238.09937969
• SMILES: C(=O)(Oc1ccc(cc1)c1ccccc1)C(=C)C
• Canonical SMILES: O=C(C(=C)C)Oc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H14O2/c1-12(2)16(17)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3
• InChIKey: HEJFLAMVALNBRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylphenyl 2-methylprop-2-enoate
• IUPAC Traditional name: 4-phenylphenyl 2-methylprop-2-enoate
• Synonyms: 2-METHYL-ACRYLIC ACID BIPHENYL-4-YL ESTER

Database IDs

• CAS Number: 46904-74-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.612909
• LogD (pH = 7.4): 4.612909
• Log P: 4.612909
• Molar Refractivity: 71.3314 cm^3
• Polarizability: 29.225359 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%