{2-[2-(hydroxymethyl)phenyl]phenyl}methanol

• ChemBase ID: 146110
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: c1ccc(c(c1)CO)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1c1ccccc1CO
• InChI: InChI=1S/C14H14O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2
• InChIKey: UIMJANTUJQGSEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(hydroxymethyl)phenyl]phenyl}methanol
• IUPAC Traditional name: 2,2'-biphenyldimethanol
• Synonyms: 2,2′-Biphenyldimethanol; 2,2′-联苯二甲醇

Database IDs

• CAS Number: 3594-90-9
• MDL Number: MFCD00074889
• PubChem SID: 162240309; 24859812
• PubChem CID: 243265

CALCULATED PROPERTIES

• Acid pKa: 14.839566
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0857716
• LogD (pH = 7.4): 2.0857716
• Log P: 2.0857716
• Molar Refractivity: 64.826 cm^3
• Polarizability: 26.251654 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-111 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (-C6H4CH2OH)2

DETAILS

Sigma Aldrich - 329754

Packaging
10 g in glass bottle