1-(2-hydroxyphenyl)-2-phenylethan-1-one

• ChemBase ID: 65851
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1ccc(c(c1)C(=O)Cc1ccccc1)O
• Canonical SMILES: O=C(c1ccccc1O)Cc1ccccc1
• InChI: InChI=1S/C14H12O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
• InChIKey: VGHVJQXWDXRTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyphenyl)-2-phenylethan-1-one
• IUPAC Traditional name: 1-(2-hydroxyphenyl)-2-phenylethanone
• Synonyms: 1-(2-Hydroxyphenyl)-2-phenylethanone; 1-(2-Hydroxyphenyl)-2-phenylethan-1-one

Database IDs

• CAS Number: 2491-31-8
• MDL Number: MFCD00218589
• PubChem SID: 162031590
• PubChem CID: 137612

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7116575
• LogD (pH = 7.4): 3.7108417
• Log P: 3.7116678
• Molar Refractivity: 63.1636 cm^3
• Polarizability: 24.272303 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.117074

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%