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

• ChemBase ID: 60586
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: c1c(cc(cc1)C(=O)c1cc(ccc1)Cl)OCOC
• Canonical SMILES: COCOc1cccc(c1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-10-19-14-7-3-5-12(9-14)15(17)11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
• InChIKey: WAZZHPURGZNSOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 938458-64-1
• MDL Number: MFCD09055160
• PubChem SID: 162026327
• PubChem CID: 28063041

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: 28.893375 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