2-hydroxy-5-phenylbenzaldehyde

• ChemBase ID: 266901
• Molecular Formular: C13H10O2
• Molecular Mass: 198.2173
• Monoisotopic Mass: 198.06807956
• SMILES: c1(cc(ccc1O)c1ccccc1)C=O
• Canonical SMILES: O=Cc1cc(ccc1O)c1ccccc1
• InChI: InChI=1S/C13H10O2/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-9,15H
• InChIKey: NAUBSKHQFFCEMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-phenylbenzaldehyde
• IUPAC Traditional name: 2-hydroxy-5-phenylbenzaldehyde
• Synonyms: 2-hydroxy-5-phenylbenzaldehyde

Database IDs

• MDL Number: MFCD00579079
• PubChem SID: 164322811
• PubChem CID: 12264658

CALCULATED PROPERTIES

• Acid pKa: 8.305508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.678734
• LogD (pH = 7.4): 3.6289155
• Log P: 3.6794083
• Molar Refractivity: 59.7591 cm^3
• Polarizability: 23.825094 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 3.701

Product Information

• Purity: 95%