{4-[(E)-2-phenylethenyl]phenyl}methanol

• ChemBase ID: 158727
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: c1ccc(cc1)/C=C/c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C15H14O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,16H,12H2/b7-6+
• InChIKey: ARFYUEZWYRMBSO-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(E)-2-phenylethenyl]phenyl}methanol
• IUPAC Traditional name: {4-[(E)-2-phenylethenyl]phenyl}methanol
• Synonyms: 4-Hydroxymethylstilbene; trans-4-Stilbenemethanol

Database IDs

• CAS Number: 101093-37-2
• MDL Number: MFCD00011548
• PubChem SID: 162252863; 24855852
• PubChem CID: 5803359

CALCULATED PROPERTIES

• Acid pKa: 15.008968
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.545737
• LogD (pH = 7.4): 3.545737
• Log P: 3.545737
• Molar Refractivity: 68.3287 cm^3
• Polarizability: 26.047398 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-160 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... ESR1(2099)rat ... Esr1(24890)

Product Information

• Linear Formula: C6H5CH=CHC6H4CH2OH

DETAILS

Sigma Aldrich - 262013

Packaging
1, 5 g in glass bottle