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249937-00-6 molecular structure
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methyl 3-[2-(morpholin-4-yl)ethoxy]benzoate

ChemBase ID: 87994
Molecular Formular: C14H19NO4
Molecular Mass: 265.30496
Monoisotopic Mass: 265.13140809
SMILES and InChIs

SMILES:
O1CCN(CC1)CCOc1cccc(c1)C(=O)OC
Canonical SMILES:
COC(=O)c1cccc(c1)OCCN1CCOCC1
InChI:
InChI=1S/C14H19NO4/c1-17-14(16)12-3-2-4-13(11-12)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3
InChIKey:
VOYSHDFODOJUMP-UHFFFAOYSA-N

Cite this record

CBID:87994 http://www.chembase.cn/molecule-87994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-[2-(morpholin-4-yl)ethoxy]benzoate
IUPAC Traditional name
methyl 3-[2-(morpholin-4-yl)ethoxy]benzoate
Synonyms
methyl 3-(2-morpholin-4-ylethoxy)benzoate
Methyl 3-(2-morpholin-4-ylethoxy)benzoate 97%
CAS Number
249937-00-6
MDL Number
MFCD08060518
PubChem SID
162075034
PubChem CID
7164628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7164628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6081232  LogD (pH = 7.4) 1.5711848 
Log P 1.6191956  Molar Refractivity 71.6401 cm3
Polarizability 27.977194 Å3 Polar Surface Area 48.0 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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