2-hydroxy-5-phenoxybenzoic acid

• ChemBase ID: 277623
• Molecular Formular: C13H10O4
• Molecular Mass: 230.2161
• Monoisotopic Mass: 230.0579088
• SMILES: c1(C(=O)O)c(ccc(c1)Oc1ccccc1)O
• Canonical SMILES: OC(=O)c1cc(ccc1O)Oc1ccccc1
• InChI: InChI=1S/C13H10O4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
• InChIKey: YBZCZJNOZGZSFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-phenoxybenzoic acid
• IUPAC Traditional name: 2-hydroxy-5-phenoxybenzoic acid
• Synonyms: 2-hydroxy-5-phenoxybenzoic acid

Database IDs

• MDL Number: MFCD11203613
• PubChem SID: 164333533
• PubChem CID: 12265000

CALCULATED PROPERTIES

• Acid pKa: 2.505608
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5938779
• LogD (pH = 7.4): -0.03357165
• Log P: 3.4775505
• Molar Refractivity: 61.5359 cm^3
• Polarizability: 23.5964 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.285

Product Information

• Purity: 95%