1-(4-nitrophenoxy)naphthalene

• ChemBase ID: 91147
• Molecular Formular: C16H11NO3
• Molecular Mass: 265.26344
• Monoisotopic Mass: 265.07389322
• SMILES: O(c1cccc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)Oc1cccc2c1cccc2
• InChI: InChI=1S/C16H11NO3/c18-17(19)13-8-10-14(11-9-13)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
• InChIKey: SEGARSYGUBYPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-nitrophenoxy)naphthalene
• IUPAC Traditional name: 1-(4-nitrophenoxy)naphthalene
• Synonyms: 1-(4-Nitrophenoxy)naphthalene

Database IDs

• MDL Number: MFCD00623247
• PubChem SID: 162077851
• PubChem CID: 762479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.402994
• LogD (pH = 7.4): 4.402994
• Log P: 4.402994
• Molar Refractivity: 76.0737 cm^3
• Polarizability: 30.029684 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant