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1-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-3-(2-methylphenyl)propan-1-one

ChemBase ID: 370464
Molecular Formular: C22H27NO3
Molecular Mass: 353.45468
Monoisotopic Mass: 353.19909373
SMILES and InChIs

SMILES:
N1(C(=O)CCc2c(C)cccc2)CC(OCC1)Cc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CC1OCCN(C1)C(=O)CCc1ccccc1C
InChI:
InChI=1S/C22H27NO3/c1-17-6-3-4-8-19(17)10-11-22(24)23-12-13-26-21(16-23)15-18-7-5-9-20(14-18)25-2/h3-9,14,21H,10-13,15-16H2,1-2H3
InChIKey:
JFTBCHKTOCRJOE-UHFFFAOYSA-N

Cite this record

CBID:370464 http://www.chembase.cn/molecule-370464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-3-(2-methylphenyl)propan-1-one
IUPAC Traditional name
1-{2-[(3-methoxyphenyl)methyl]morpholin-4-yl}-3-(2-methylphenyl)propan-1-one
Synonyms
2-(3-methoxybenzyl)-4-[3-(2-methylphenyl)propanoyl]morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.9061232  LogD (pH = 7.4) 3.9061234 
Log P 3.9061234  Molar Refractivity 103.1989 cm3
Polarizability 40.109993 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.74  LOG S -4.21 
Polar Surface Area 38.77 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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