Home > Compound List > Compound details
906353-02-4 molecular structure
click picture or here to close

{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol

ChemBase ID: 77477
Molecular Formular: C12H12N2O2
Molecular Mass: 216.23588
Monoisotopic Mass: 216.08987763
SMILES and InChIs

SMILES:
OCc1ccc(cc1)Oc1nc(cnc1)C
Canonical SMILES:
OCc1ccc(cc1)Oc1cncc(n1)C
InChI:
InChI=1S/C12H12N2O2/c1-9-6-13-7-12(14-9)16-11-4-2-10(8-15)3-5-11/h2-7,15H,8H2,1H3
InChIKey:
RNFIYSOVNHRFJW-UHFFFAOYSA-N

Cite this record

CBID:77477 http://www.chembase.cn/molecule-77477.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol
IUPAC Traditional name
{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol
Synonyms
{4-[(6-methylpyrazin-2-yl)oxy]phenyl}methanol
4-[(6-Methylpyrazin-2-yl)oxy]benzyl alcohol 97%
CAS Number
906353-02-4
MDL Number
MFCD09817533
PubChem SID
162042349
PubChem CID
24229691

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229691 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.983763  H Acceptors
H Donor LogD (pH = 5.5) 0.99666417 
LogD (pH = 7.4) 0.996666  Log P 0.9966661 
Molar Refractivity 59.7059 cm3 Polarizability 23.087847 Å3
Polar Surface Area 55.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
Purity
97% 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