(2-chlorophenyl)[3-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 58569
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: c1cccc(c1Cl)C(=O)c1cccc(c1)OCOC
• Canonical SMILES: COCOc1cccc(c1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-10-19-12-6-4-5-11(9-12)15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
• InChIKey: ZPMGVLLHWROCFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)[3-(methoxymethoxy)phenyl]methanone
• IUPAC Traditional name: (2-chlorophenyl)[3-(methoxymethoxy)phenyl]methanone
• Synonyms: (2-Chlorophenyl)[3-(methoxymethoxy)phenyl]-methanone; (2-chlorophenyl)[3-(methoxymethoxy)phenyl]methanone

Database IDs

• CAS Number: 938458-60-7
• MDL Number: MFCD09055157
• PubChem SID: 162063332
• PubChem CID: 28063039

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9420977
• LogD (pH = 7.4): 3.9420977
• Log P: 3.9420977
• Molar Refractivity: 73.7545 cm^3
• Polarizability: 28.90826 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false