{4-[4-(hydroxymethyl)phenoxy]phenyl}methanol

• ChemBase ID: 111626
• Molecular Formular: C14H14O3
• Molecular Mass: 230.25916
• Monoisotopic Mass: 230.09429431
• SMILES: OCc1ccc(Oc2ccc(CO)cc2)cc1
• Canonical SMILES: OCc1ccc(cc1)Oc1ccc(cc1)CO
• InChI: InChI=1S/C14H14O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
• InChIKey: VFLRGCHXIWFSGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(hydroxymethyl)phenoxy]phenyl}methanol
• IUPAC Traditional name: {4-[4-(hydroxymethyl)phenoxy]phenyl}methanol
• Synonyms: p,p'-bis(HYDROXYMETHYL)DIPHENYLETHER

Database IDs

• CAS Number: 2350-43-8
• PubChem SID: 162098129
• PubChem CID: 5235676

CALCULATED PROPERTIES

• Acid pKa: 14.695369
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9388335
• LogD (pH = 7.4): 1.9388335
• Log P: 1.9388335
• Molar Refractivity: 65.9306 cm^3
• Polarizability: 25.563734 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220087

MP Biomedicals Rare Chemical collection