1-methoxy-4-(2-phenylethenyl)benzene

• ChemBase ID: 89467
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: O(c1ccc(cc1)/C=C/c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3
• InChIKey: XWYXLYCDZKRCAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-(2-phenylethenyl)benzene
• IUPAC Traditional name: p-methoxystilbene
• Synonyms: 4-Methoxystilbene; 4-Methoxy-trans-stilbene 95%; 4-甲氧基芪

Database IDs

• CAS Number: 1142-15-0
• EC Number: 214-530-7
• MDL Number: MFCD00017178
• PubChem SID: 162076347
• PubChem CID: 1245920

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1554155
• LogD (pH = 7.4): 4.1554155
• Log P: 4.1554155
• Molar Refractivity: 67.976 cm^3
• Polarizability: 26.113146 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-136°C; 136-138°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%