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852180-76-8 molecular structure
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{4-[2-(morpholin-4-yl)ethoxy]phenyl}methanol

ChemBase ID: 88990
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
OCc1ccc(cc1)OCCN1CCOCC1
Canonical SMILES:
OCc1ccc(cc1)OCCN1CCOCC1
InChI:
InChI=1S/C13H19NO3/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14/h1-4,15H,5-11H2
InChIKey:
LZRLXLXSGAEQLA-UHFFFAOYSA-N

Cite this record

CBID:88990 http://www.chembase.cn/molecule-88990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{4-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
IUPAC Traditional name
{4-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
Synonyms
[4-(2-morpholin-4-ylethoxy)phenyl]methanol
{4-[2-(Morpholin-4-yl)ethoxy]phenyl}methanol
4-[2-(Morpholin-4-yl)ethoxy]benzyl alcohol 97%
CAS Number
852180-76-8
MDL Number
MFCD07368553
PubChem SID
162075876
PubChem CID
7060580

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7060580 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.021047  H Acceptors
H Donor LogD (pH = 5.5) -0.33378553 
LogD (pH = 7.4) 0.77659744  Log P 0.8483689 
Molar Refractivity 66.4307 cm3 Polarizability 25.99897 Å3
Polar Surface Area 41.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
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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