Home > Compound List > Compound details
1200-15-3 molecular structure
click picture or here to close

2-[(4-chlorophenyl)methoxy]ethan-1-ol

ChemBase ID: 41008
Molecular Formular: C9H11ClO2
Molecular Mass: 186.63544
Monoisotopic Mass: 186.04475727
SMILES and InChIs

SMILES:
c1(Cl)ccc(cc1)COCCO
Canonical SMILES:
OCCOCc1ccc(cc1)Cl
InChI:
InChI=1S/C9H11ClO2/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,11H,5-7H2
InChIKey:
QWKQPDIBDYVUIZ-UHFFFAOYSA-N

Cite this record

CBID:41008 http://www.chembase.cn/molecule-41008.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-chlorophenyl)methoxy]ethan-1-ol
IUPAC Traditional name
2-[(4-chlorophenyl)methoxy]ethanol
Synonyms
2-[(4-Chlorobenzyl)oxy]-1-ethanol
CAS Number
1200-15-3
MDL Number
MFCD00172032
PubChem SID
162045771
PubChem CID
2763751

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763751 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.120475  H Acceptors
H Donor LogD (pH = 5.5) 1.7629652 
LogD (pH = 7.4) 1.7629652  Log P 1.7629652 
Molar Refractivity 48.7222 cm3 Polarizability 19.035994 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
108 - 112 °C @ 0.3mm Hg expand Show data source
108-112°C/0.3mm expand Show data source
Storage Warning
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
>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