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61439-59-6 molecular structure
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2-[4-(benzyloxy)phenyl]ethan-1-ol

ChemBase ID: 161670
Molecular Formular: C15H16O2
Molecular Mass: 228.28634
Monoisotopic Mass: 228.11502975
SMILES and InChIs

SMILES:
c1cc(ccc1CCO)OCc1ccccc1
Canonical SMILES:
OCCc1ccc(cc1)OCc1ccccc1
InChI:
InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKey:
JCUJAHLWCDISCC-UHFFFAOYSA-N

Cite this record

CBID:161670 http://www.chembase.cn/molecule-161670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(benzyloxy)phenyl]ethan-1-ol
IUPAC Traditional name
2-[4-(benzyloxy)phenyl]ethanol
Synonyms
4-(Phenylmethoxy)benzeneethanol
2-(p-Benzyloxyphenyl)ethanol
4-Benzyloxyphenethyl Alcohol
p-(Benzyloxy)phenethyl Alcohol
β-(p-Benzyloxyphenyl)ethyl Alcohol
2-(4-Benzyloxyphenyl)ethanol
p-Benzyloxyphenethyl alcohol
2-(4-Benzyloxyphenyl)ethanol
2-(4-(Benzyloxy)phenyl)ethanol
2-(4-苯甲氧基苯基)乙醇
CAS Number
61439-59-6
EC Number
262-795-2
MDL Number
MFCD00017532
Beilstein Number
2054624
PubChem SID
162255805
PubChem CID
3017260

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3017260 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.906462  H Acceptors
H Donor LogD (pH = 5.5) 3.0613592 
LogD (pH = 7.4) 3.0613592  Log P 3.0613592 
Molar Refractivity 68.7047 cm3 Polarizability 26.676949 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)
Solubility
Chloroform expand Show data source
Apperance
White Solid expand Show data source
Melting Point
85-87°C expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
expand Show data source
Purity
95+% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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