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101376-26-5 molecular structure
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[(3R)-4-benzylmorpholin-3-yl]methanol

ChemBase ID: 293886
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
OC[C@H]1N(Cc2ccccc2)CCOC1
Canonical SMILES:
OC[C@@H]1COCCN1Cc1ccccc1
InChI:
InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChIKey:
CPLXVETYMUMERG-GFCCVEGCSA-N

Cite this record

CBID:293886 http://www.chembase.cn/molecule-293886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3R)-4-benzylmorpholin-3-yl]methanol
IUPAC Traditional name
[(3R)-4-benzylmorpholin-3-yl]methanol
Synonyms
(R)-(4-Benzylmorpholin-3-yl)methanol
CAS Number
101376-26-5
MDL Number
MFCD06799481
PubChem SID
180679417
PubChem CID
1514271

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD47696 Please log in.
Data Source Data ID
PubChem 1514271 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.038294  H Acceptors
H Donor LogD (pH = 5.5) -0.51617724 
LogD (pH = 7.4) 0.8973926  Log P 1.0658072 
Molar Refractivity 59.6377 cm3 Polarizability 23.483105 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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