2-[(4-hydroxyphenyl)methyl]phenol

• ChemBase ID: 83616
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: Oc1ccccc1Cc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)Cc1ccccc1O
• InChI: InChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2
• InChIKey: LVLNPXCISNPHLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-hydroxyphenyl)methyl]phenol
• IUPAC Traditional name: 2-[(4-hydroxyphenyl)methyl]phenol
• Synonyms: 2-(4-hydroxybenzyl)phenol

Database IDs

• MDL Number: MFCD00060113
• PubChem SID: 162070733
• PubChem CID: 75576

CALCULATED PROPERTIES

• Acid pKa: 9.797795
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4578874
• LogD (pH = 7.4): 3.4561832
• Log P: 3.457909
• Molar Refractivity: 59.757 cm^3
• Polarizability: 22.902239 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true