phenyl N-(4-hydroxyphenyl)-N-methylcarbamate

• ChemBase ID: 240193
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(N(c1ccc(cc1)O)C)Oc1ccccc1
• Canonical SMILES: Oc1ccc(cc1)N(C(=O)Oc1ccccc1)C
• InChI: InChI=1S/C14H13NO3/c1-15(11-7-9-12(16)10-8-11)14(17)18-13-5-3-2-4-6-13/h2-10,16H,1H3
• InChIKey: YJSSOXDICOVVHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(4-hydroxyphenyl)-N-methylcarbamate
• IUPAC Traditional name: phenyl N-(4-hydroxyphenyl)-N-methylcarbamate
• Synonyms: phenyl N-(4-hydroxyphenyl)-N-methylcarbamate

Database IDs

• MDL Number: MFCD00586121
• PubChem SID: 164296103
• PubChem CID: 28740220

CALCULATED PROPERTIES

• Acid pKa: 9.241257
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.048628
• LogD (pH = 7.4): 3.0425298
• Log P: 3.0487065
• Molar Refractivity: 67.419 cm^3
• Polarizability: 26.07192 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.669

Product Information

• Purity: 95%