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280556-71-0 molecular structure
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[4-(morpholin-4-yl)phenyl]methanol

ChemBase ID: 66430
Molecular Formular: C11H15NO2
Molecular Mass: 193.2423
Monoisotopic Mass: 193.11027873
SMILES and InChIs

SMILES:
C(O)c1ccc(cc1)N1CCOCC1
Canonical SMILES:
OCc1ccc(cc1)N1CCOCC1
InChI:
InChI=1S/C11H15NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
InChIKey:
KUAHZNZWSIDSTH-UHFFFAOYSA-N

Cite this record

CBID:66430 http://www.chembase.cn/molecule-66430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(morpholin-4-yl)phenyl]methanol
IUPAC Traditional name
[4-(morpholin-4-yl)phenyl]methanol
Synonyms
4-(Morpholin-4-yl)benzyl alcohol
4-[4-(Hydroxymethyl)phenyl]morpholine
[(4-Morpholin-4-yl)phenyl]methanol
(4-morpholin-4-yl-phenyl)-methanol
(4-Morpholin-4-yl-phenyl)methanol
CAS Number
280556-71-0
MDL Number
MFCD01057413
PubChem SID
162032168
PubChem CID
2776456

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.142765  H Acceptors
H Donor LogD (pH = 5.5) 1.0954168 
LogD (pH = 7.4) 1.0954392  Log P 1.0954394 
Molar Refractivity 56.377 cm3 Polarizability 21.250622 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
96-98°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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