(4-methoxyphenyl)phosphonic acid

• ChemBase ID: 83012
• Molecular Formular: C7H9O4P
• Molecular Mass: 188.117721
• Monoisotopic Mass: 188.0238454
• SMILES: P(=O)(c1ccc(cc1)OC)(O)O
• Canonical SMILES: COc1ccc(cc1)P(=O)(O)O
• InChI: InChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
• InChIKey: SCMAYTUWDLAAAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)phosphonic acid
• IUPAC Traditional name: 4-methoxyphenylphosphonic acid
• Synonyms: 4-methoxyphenylphosphonic acid

Database IDs

• MDL Number: MFCD00013948
• PubChem SID: 162070131
• PubChem CID: 2779449

CALCULATED PROPERTIES

• Acid pKa: 1.6636107
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0408566
• LogD (pH = 7.4): -2.593735
• Log P: 0.2257
• Molar Refractivity: 43.7096 cm^3
• Polarizability: 17.094112 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true