3,5-dihydroxy-7-(methoxymethoxy)-2-[4-(methoxymethoxy)phenyl]-4H-chromen-4-one

• ChemBase ID: 172034
• Molecular Formular: C19H18O8
• Molecular Mass: 374.34142
• Monoisotopic Mass: 374.10016754
• SMILES: c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)OCOC)O)OCOC
• Canonical SMILES: COCOc1ccc(cc1)c1oc2cc(OCOC)cc(c2c(=O)c1O)O
• InChI: InChI=1S/C19H18O8/c1-23-9-25-12-5-3-11(4-6-12)19-18(22)17(21)16-14(20)7-13(26-10-24-2)8-15(16)27-19/h3-8,20,22H,9-10H2,1-2H3
• InChIKey: DEKADMRWDRKBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dihydroxy-7-(methoxymethoxy)-2-[4-(methoxymethoxy)phenyl]-4H-chromen-4-one
• IUPAC Traditional name: 3,5-dihydroxy-7-(methoxymethoxy)-2-[4-(methoxymethoxy)phenyl]chromen-4-one
• Synonyms: 3,5-Dihydroxy-7-(methoxymethoxy)-2-[4-(methoxymethoxy)phenyl]-4H-1-benzopyran-4-one; Kaempferol Di-O-methoxymethyl Ether

Database IDs

• CAS Number: 1329801-99-1
• PubChem SID: 164227944
• PubChem CID: 71749664

CALCULATED PROPERTIES

• Acid pKa: 8.161631
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 2.8769636
• LogD (pH = 7.4): 2.8081973
• Log P: 2.8779037
• Molar Refractivity: 95.5519 cm^3
• Polarizability: 36.679073 Å^3
• Polar Surface Area: 103.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Methanol
• Apperance: Yellow Solid

DETAILS

Toronto Research Chemicals - K100010

Kaempferol Di-O-methoxymethyl ether is a protected Kaempferol (K100000).