2-hydroxy-4-phenylbenzaldehyde

• ChemBase ID: 248410
• Molecular Formular: C13H10O2
• Molecular Mass: 198.2173
• Monoisotopic Mass: 198.06807956
• SMILES: c1(c(ccc(c1)c1ccccc1)C=O)O
• Canonical SMILES: O=Cc1ccc(cc1O)c1ccccc1
• InChI: InChI=1S/C13H10O2/c14-9-12-7-6-11(8-13(12)15)10-4-2-1-3-5-10/h1-9,15H
• InChIKey: PQPFIHPHEGDBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-phenylbenzaldehyde
• IUPAC Traditional name: 2-hydroxy-4-phenylbenzaldehyde
• Synonyms: 2-hydroxy-4-phenylbenzaldehyde

Database IDs

• MDL Number: MFCD18314600
• PubChem SID: 164304320
• PubChem CID: 11579299

CALCULATED PROPERTIES

• Acid pKa: 8.218211
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.678584
• LogD (pH = 7.4): 3.6184487
• Log P: 3.6794083
• Molar Refractivity: 59.7591 cm^3
• Polarizability: 23.828669 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 3.701

Product Information

• Purity: 95%