Home > Compound List > Compound details
5394-57-0 molecular structure
click picture or here to close

2-(4-methoxyphenoxy)ethan-1-ol

ChemBase ID: 44771
Molecular Formular: C9H12O3
Molecular Mass: 168.18978
Monoisotopic Mass: 168.07864424
SMILES and InChIs

SMILES:
c1(ccc(cc1)OCCO)OC
Canonical SMILES:
OCCOc1ccc(cc1)OC
InChI:
InChI=1S/C9H12O3/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5,10H,6-7H2,1H3
InChIKey:
OOWGFJQYZCXHEY-UHFFFAOYSA-N

Cite this record

CBID:44771 http://www.chembase.cn/molecule-44771.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenoxy)ethan-1-ol
IUPAC Traditional name
2-(4-methoxyphenoxy)ethanol
Synonyms
2-(4-Methoxyphenoxy)ethan-1-ol
4-(2-Hydroxyethoxy)anisole
2-(4-Methoxyphenoxy)-1-ethanol
CAS Number
5394-57-0
MDL Number
MFCD00016568
PubChem SID
162049534
PubChem CID
220079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 220079 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.102173  H Acceptors
H Donor LogD (pH = 5.5) 0.9678013 
LogD (pH = 7.4) 0.9678013  Log P 0.9678013 
Molar Refractivity 45.2767 cm3 Polarizability 17.829052 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% 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