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106276-04-4 molecular structure
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{2-[2-(morpholin-4-yl)ethoxy]phenyl}methanol

ChemBase ID: 101249
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
N1(CCOc2c(CO)cccc2)CCOCC1
Canonical SMILES:
OCc1ccccc1OCCN1CCOCC1
InChI:
InChI=1S/C13H19NO3/c15-11-12-3-1-2-4-13(12)17-10-7-14-5-8-16-9-6-14/h1-4,15H,5-11H2
InChIKey:
MJDMCSJTOOAYPS-UHFFFAOYSA-N

Cite this record

CBID:101249 http://www.chembase.cn/molecule-101249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
IUPAC Traditional name
{2-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
Synonyms
[2-(2-morpholinoethoxy)phenyl]methanol
CAS Number
106276-04-4
MDL Number
MFCD07772843
PubChem SID
162086745
PubChem CID
7164615

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 7164615 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.705743  H Acceptors
H Donor LogD (pH = 5.5) -0.22248104 
LogD (pH = 7.4) 0.79296464  Log P 0.8483689 
Molar Refractivity 66.4307 cm3 Polarizability 25.999279 Å3
Polar Surface Area 41.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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