(methoxymethoxy)benzene

• ChemBase ID: 42989
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: C(Oc1ccccc1)OC
• Canonical SMILES: COCOc1ccccc1
• InChI: InChI=1S/C8H10O2/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChIKey: DDAHODSRFCRULG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxymethoxy)benzene
• IUPAC Traditional name: (methoxymethoxy)benzene
• Synonyms: 1-(Methoxymethoxy)benzene

Database IDs

• CAS Number: 824-91-9
• MDL Number: MFCD00457267
• PubChem SID: 162047752
• PubChem CID: 10060101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8787
• LogD (pH = 7.4): 1.8787
• Log P: 1.8787
• Molar Refractivity: 38.3742 cm^3
• Polarizability: 15.375845 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%