(4-methoxy-2-methylphenyl)(4-methoxyphenyl)methanol

• ChemBase ID: 245517
• Molecular Formular: C16H18O3
• Molecular Mass: 258.31232
• Monoisotopic Mass: 258.12559444
• SMILES: c1(c(cc(cc1)OC)C)C(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1C)OC)O
• InChI: InChI=1S/C16H18O3/c1-11-10-14(19-3)8-9-15(11)16(17)12-4-6-13(18-2)7-5-12/h4-10,16-17H,1-3H3
• InChIKey: YJRCEIRFLINPTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-2-methylphenyl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: (4-methoxy-2-methylphenyl)(4-methoxyphenyl)methanol
• Synonyms: (4-methoxy-2-methylphenyl)(4-methoxyphenyl)methanol

Database IDs

• MDL Number: MFCD16357385
• PubChem SID: 164301427
• PubChem CID: 61100955

CALCULATED PROPERTIES

• Acid pKa: 13.773538
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.188215
• LogD (pH = 7.4): 3.188215
• Log P: 3.188215
• Molar Refractivity: 75.1243 cm^3
• Polarizability: 29.172192 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 2.739

Product Information

• Purity: 95%