Home > Compound List > Compound details
5128-44-9 molecular structure
click picture or here to close

5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

ChemBase ID: 304953
Molecular Formular: C17H14O5
Molecular Mass: 298.29006
Monoisotopic Mass: 298.08412355
SMILES and InChIs

SMILES:
c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)OC
Canonical SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)OC
InChI:
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
InChIKey:
LZERJKGWTQYMBB-UHFFFAOYSA-N

Cite this record

CBID:304953 http://www.chembase.cn/molecule-304953.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
apigenin 7,4'-dimethyl ether
Synonyms
7,4'-Di-O-methylapigenin
CAS Number
5128-44-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01309
Data Source Data ID Price
BioBioPha
BBP01309 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  Acid pKa 7.3657203 
H Acceptors H Donor
LogD (pH = 5.5) 2.9926484  LogD (pH = 7.4) 2.6837368 
Log P 2.9984772  Molar Refractivity 81.8785 cm3
Polarizability 30.918365 Å3 Polar Surface Area 64.99 Å2
Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow powder expand Show data source
Purity
99.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle